CAS RN: 143317-76-4
CAS Name: 2,6-bis(3,4-dimethoxyphenyl)oxane
OPENEYE Name: 2,6-bis(3,4-dimethoxyphenyl)tetrahydropyran
IUPAC Name: 2,6-bis(3,4-dimethoxyphenyl)oxane
SYSTEMATIC NAME: 2,6-bis(3,4-dimethoxyphenyl)oxane
MOLECULAR FORMULA: C21H26O5
MOLECULAR WEIGHT: 358.42814
SMILES: COC1=C(C=C(C=C1)C2CCCC(O2)C3=CC(=C(C=C3)OC)OC)OC
Structure:
CAS RN: 143304-82-9
CAS Name: 19-hydroperoxy-20-hydroxyeicosanoic acid
OPENEYE Name: 19-hydroperoxy-20-hydroxy-icosanoic acid
IUPAC Name: 19-hydroperoxy-20-hydroxyicosanoic acid
SYSTEMATIC NAME: 19-(dioxidanyl)-20-oxidanyl-icosanoic acid
MOLECULAR FORMULA: C20H40O5
MOLECULAR WEIGHT: 360.5286
SMILES: C(CCCCCCCCC(CO)OO)CCCCCCCCC(=O)O
Structure:
CAS RN: 143206-27-3
CAS Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitro-phenoxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-(2-chloranyl-4-nitro-phenoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C18H24ClNO13
MOLECULAR WEIGHT: 497.83506
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Structure:
CAS RN: 143214-66-8
CAS Name: 1-cycloheptyl-3-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]urea
OPENEYE Name: 1-cycloheptyl-3-[[4-(cycloheptylamino)-3-pyridyl]sulfonyl]urea
IUPAC Name: 1-cycloheptyl-3-[4-(cycloheptylamino)pyridin-3-yl]sulfonylurea
SYSTEMATIC NAME: 1-cycloheptyl-3-[4-(cycloheptylamino)pyridin-3-yl]sulfonyl-urea
MOLECULAR FORMULA: C20H32N4O3S
MOLECULAR WEIGHT: 408.55808
SMILES: C1CCCC(CC1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC3CCCCCC3
Structure:
CAS RN: 143202-56-6
CAS Name: 2,6-ditert-butyl-4-(3,7,11-trimethyldodecylthio)phenol
OPENEYE Name: 2,6-ditert-butyl-4-(3,7,11-trimethyldodecylsulfanyl)phenol
IUPAC Name: 2,6-ditert-butyl-4-(3,7,11-trimethyldodecylsulfanyl)phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(3,7,11-trimethyldodecylsulfanyl)phenol
MOLECULAR FORMULA: C29H52OS
MOLECULAR WEIGHT: 448.78758
SMILES: CC(C)CCCC(C)CCCC(C)CCSC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 143162-65-6
CAS Name: 2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid
OPENEYE Name: 2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid
IUPAC Name: 2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[5-methyl-3-oxidanylidene-4-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]-1,4-benzothiazin-2-yl]ethanoic acid
MOLECULAR FORMULA: C18H11F3N2O3S2
MOLECULAR WEIGHT: 424.41675
SMILES: CC1=C2C(=CC=C1)SC(C(=O)N2C3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O
Structure:
CAS RN: 143159-04-0
CAS Name: 6,7-dimethoxy-2-methylquinoxaline
OPENEYE Name: 6,7-dimethoxy-2-methyl-quinoxaline
IUPAC Name: 6,7-dimethoxy-2-methylquinoxaline
SYSTEMATIC NAME: 6,7-dimethoxy-2-methyl-quinoxaline
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CC1=NC2=CC(=C(C=C2N=C1)OC)OC
Structure:
CAS RN: 143120-88-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H53NO8
MOLECULAR WEIGHT: 591.77582
SMILES: C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)O
Structure:
CAS RN: 143086-40-2
CAS Name: (1R,5R,9S)-9-(2-hydroxypropan-2-yl)-2,6-dimethylenecyclodecane-1,5-diol
OPENEYE Name: (1R,5R,9S)-9-(1-hydroxy-1-methyl-ethyl)-2,6-dimethylene-cyclodecane-1,5-diol
IUPAC Name: (1R,5R,9S)-9-(2-hydroxypropan-2-yl)-2,6-dimethylidenecyclodecane-1,5-diol
SYSTEMATIC NAME: (1R,5R,9S)-2,6-dimethylidene-9-(2-oxidanylpropan-2-yl)cyclodecane-1,5-diol
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: CC(C)([C@H]1CCC(=C)[C@@H](CCC(=C)[C@@H](C1)O)O)O
Structure:
CAS RN: 143086-33-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H28N4O6
MOLECULAR WEIGHT: 552.57722
SMILES: CCOC(=O)N(C)[C@@H]1C[C@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@]([C@H]1OC)(O2)C)C(=O)NC6=O
Structure:
CAS RN: 143062-81-1
CAS Name: [(2S)-2,3-bis(tricosa-10,12-diynoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2S)-2,3-bis(tricosa-10,12-diynoxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2S)-2,3-bis(tricosa-10,12-diynoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2S)-2,3-bis(tricosa-10,12-diynoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C54H96NO6P
MOLECULAR WEIGHT: 886.316901
SMILES: CCCCCCCCCCC#CC#CCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCC#CC#CCCCCCCCCCC
Structure:
CAS RN: 143039-35-4
CAS Name: N-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxypropyl]-4-(1-pyrenyl)butanamide
OPENEYE Name: N-[(2S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-propyl]-4-pyren-1-yl-butanamide
IUPAC Name: N-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-4-pyren-1-ylbutanamide
SYSTEMATIC NAME: N-[(2S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-propyl]-4-pyren-1-yl-butanamide
MOLECULAR FORMULA: C53H58N3O6P
MOLECULAR WEIGHT: 864.017881
SMILES: CC(C)N(C(C)C)[P@](OCCC#N)O[C@@H](CNC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
Structure:
CAS RN: 143023-12-5
CAS Name: 2,3-bis(tricosa-10,12-diynoxy)propyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: 2,3-bis(tricosa-10,12-diynoxy)propyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2,3-bis(tricosa-10,12-diynoxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2,3-bis(tricosa-10,12-diynoxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C54H96NO6P
MOLECULAR WEIGHT: 886.316901
SMILES: CCCCCCCCCCC#CC#CCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCC#CC#CCCCCCCCCCC
Structure:
CAS RN: 143016-36-8
CAS Name: 2,3-dihydroxy-3-[3-[3-(trifluoromethyl)-3-diazirinyl]phenyl]propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2,3-dihydroxy-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,3-dihydroxy-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2,3-bis(oxidanyl)-3-[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]propanoate
MOLECULAR FORMULA: C15H12F3N3O6
MOLECULAR WEIGHT: 387.26749
SMILES: C1CC(=O)N(C1=O)OC(=O)C(C(C2=CC=CC(=C2)C3(N=N3)C(F)(F)F)O)O
Structure:
CAS RN: 111843-78-8
CAS Name: 2',7'-dichloro-3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid
OPENEYE Name: 2',7'-dichloro-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
IUPAC Name: 2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
SYSTEMATIC NAME: 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
MOLECULAR FORMULA: C21H10Cl2O7
MOLECULAR WEIGHT: 445.2059
SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl
Structure:
CAS RN: 142975-81-3
CAS Name: 2',7'-dichloro-3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid
OPENEYE Name: 2',7'-dichloro-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
IUPAC Name: 2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
SYSTEMATIC NAME: 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
MOLECULAR FORMULA: C21H10Cl2O7
MOLECULAR WEIGHT: 445.2059
SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl
Structure:
CAS RN: 142950-86-5
CAS Name: (4aS,10aS)-1,4a-dimethyl-5,8-dioxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
OPENEYE Name: (4aS,10aS)-7-isopropyl-1,4a-dimethyl-5,8-dioxo-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
IUPAC Name: (4aS,10aS)-1,4a-dimethyl-5,8-dioxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
SYSTEMATIC NAME: (4aS,10aS)-1,4a-dimethyl-5,8-bis(oxidanylidene)-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: CC1=C(CC[C@]2([C@H]1CCC3=C2C(=O)C=C(C3=O)C(C)C)C)C(=O)O
Structure:
CAS RN: 142935-03-3
CAS Name: (1R)-1-(1-benzothiophen-5-yl)-2-[2-(diethylamino)ethoxy]ethanol hydrochloride
OPENEYE Name: (1R)-1-(benzothiophen-5-yl)-2-[2-(diethylamino)ethoxy]ethanol hydrochloride
IUPAC Name: (1R)-1-(1-benzothiophen-5-yl)-2-[2-(diethylamino)ethoxy]ethanol hydrochloride
SYSTEMATIC NAME: (1R)-1-(1-benzothiophen-5-yl)-2-[2-(diethylamino)ethoxy]ethanol hydrochloride
MOLECULAR FORMULA: C16H24ClNO2S
MOLECULAR WEIGHT: 329.88526
SMILES: CCN(CC)CCOC[C@@H](C1=CC2=C(C=C1)SC=C2)O.Cl
Structure:
CAS RN: 142878-32-8
CAS Name: 1,6-dihydroxy-2-methoxyanthracene-9,10-dione
OPENEYE Name: 1,6-dihydroxy-2-methoxy-anthracene-9,10-dione
IUPAC Name: 1,6-dihydroxy-2-methoxyanthracene-9,10-dione
SYSTEMATIC NAME: 2-methoxy-1,6-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H10O5
MOLECULAR WEIGHT: 270.2369
SMILES: COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)O
Structure:
CAS RN: 142880-36-2
CAS Name: (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
OPENEYE Name: (2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]-4-methyl-pentanamide
IUPAC Name: (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
SYSTEMATIC NAME: (2R)-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide
MOLECULAR FORMULA: C20H28N4O4
MOLECULAR WEIGHT: 388.46072
SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC
Structure:
CAS RN: 142878-30-6
CAS Name: 3-(hydroxymethyl)-5-methoxycyclopentane-1,2,4-triol
OPENEYE Name: 3-(hydroxymethyl)-5-methoxy-cyclopentane-1,2,4-triol
IUPAC Name: 3-(hydroxymethyl)-5-methoxycyclopentane-1,2,4-triol
SYSTEMATIC NAME: 3-(hydroxymethyl)-5-methoxy-cyclopentane-1,2,4-triol
MOLECULAR FORMULA: C7H14O5
MOLECULAR WEIGHT: 178.18306
SMILES: COC1C(C(C(C1O)O)CO)O
Structure:
CAS RN: 142857-52-1
CAS Name: 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-2,6-dimethyl-1-[2-(4-morpholinyl)ethyl]-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid 2-(N-(phenylmethyl)anilino)ethyl ester dihydrochloride
OPENEYE Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-1-(2-morpholinoethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate dihydrochloride
IUPAC Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate dihydrochloride
SYSTEMATIC NAME: 2-[phenyl-(phenylmethyl)amino]ethyl 5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate dihydrochloride
MOLECULAR FORMULA: C40H51Cl2N4O8P
MOLECULAR WEIGHT: 817.734701
SMILES: CC1=C(C(C(=C(N1CCN2CCOCC2)C)P3(=O)OCC(CO3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCN(CC5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl
Structure:
CAS RN: 142846-96-6
CAS Name: 1-hydroxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylic acid methyl ester
OPENEYE Name: methyl 1-hydroxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate
IUPAC Name: methyl 1-hydroxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate
SYSTEMATIC NAME: methyl 4-(3-methylbut-2-enyl)-1-oxidanyl-9H-carbazole-3-carboxylate
MOLECULAR FORMULA: C19H19NO3
MOLECULAR WEIGHT: 309.35906
SMILES: CC(=CCC1=C2C3=CC=CC=C3NC2=C(C=C1C(=O)OC)O)C
Structure:
CAS RN: 142820-18-6
CAS Name: 17-fluoro-5-methylheptadecanoic acid
OPENEYE Name: 17-fluoro-5-methyl-heptadecanoic acid
IUPAC Name: 17-fluoro-5-methylheptadecanoic acid
SYSTEMATIC NAME: 17-fluoranyl-5-methyl-heptadecanoic acid
MOLECULAR FORMULA: C18H35FO2
MOLECULAR WEIGHT: 302.467703
SMILES: CC(CCCCCCCCCCCCF)CCCC(=O)O
Structure:
CAS RN: 142785-61-3
CAS Name: (9S,10R,13S,14R,17S)-17-[1-(3-hydroxy-3-methylbutoxy)ethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
OPENEYE Name: (9S,10R,13S,14R,17S)-17-[1-(3-hydroxy-3-methyl-butoxy)ethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
IUPAC Name: (9S,10R,13S,14R,17S)-17-[1-(3-hydroxy-3-methylbutoxy)ethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
SYSTEMATIC NAME: (9S,10R,13S,14R,17S)-10,13-dimethyl-17-[1-(3-methyl-3-oxidanyl-butoxy)ethyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
MOLECULAR FORMULA: C26H42O4
MOLECULAR WEIGHT: 418.60928
SMILES: CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(C(CC(C4)O)O)C)C)OCCC(C)(C)O
Structure:
CAS RN: 142784-25-6
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-[(1-methyl-6-phenyl-2-imidazo[4,5-b]pyridinyl)amino]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-yl)amino]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)amino]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-[(1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-yl)amino]-3H-purin-6-one
MOLECULAR FORMULA: C23H23N9O4
MOLECULAR WEIGHT: 489.48662
SMILES: CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NC4=NC5=C(N4[C@H]6C[C@@H]([C@H](O6)CO)O)NC(=NC5=O)N
Structure:
CAS RN: 142784-65-4
CAS Name: (2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-(1-pyrrolidinyl)-1-propanone hydrobromide
OPENEYE Name: (2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-yl-propan-1-one hydrobromide
IUPAC Name: (2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one hydrobromide
SYSTEMATIC NAME: (2S,3R)-3-[3,4-bis(oxidanyl)phenyl]-2-[3-(4-fluorophenyl)propylamino]-3-oxidanyl-1-pyrrolidin-1-yl-propan-1-one hydrobromide
MOLECULAR FORMULA: C22H28BrFN2O4
MOLECULAR WEIGHT: 483.371123
SMILES: C1CCN(C1)C(=O)[C@H]([C@@H](C2=CC(=C(C=C2)O)O)O)NCCCC3=CC=C(C=C3)F.Br
Structure:
CAS RN: 142780-50-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CC(CCC=C(C)C)[C@@H]1C[C@H]2C3[C@@]1(CCC(=O)[C@@H]3CC(=O)O2)C
Structure:
CAS RN: 142755-09-7
CAS Name: 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[[(7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-yl)-oxomethyl]amino]-2-oxopropoxy]phenyl]-2-hydroxyethyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
OPENEYE Name: 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[(7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl)amino]-2-oxo-propoxy]phenyl]-2-hydroxy-ethyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
IUPAC Name: 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[(7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl)amino]-2-oxopropoxy]phenyl]-2-hydroxyethyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
SYSTEMATIC NAME: N-[2-[4-[3-[[7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-yl]carbonylamino]-2-oxidanylidene-propoxy]-3,5-bis(bromanyl)phenyl]-2-oxidanyl-ethyl]-7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6,8-trie
MOLECULAR FORMULA: C31H28Br6N4O11
MOLECULAR WEIGHT: 1111.99822
SMILES: COC1=C(C(C2(CC(=NO2)C(=O)NCC(C3=CC(=C(C(=C3)Br)OCC(=O)CNC(=O)C4=NOC5(C4)C=C(C(=C(C5O)Br)OC)Br)Br)O)C=C1Br)O)Br
Structure:
CAS RN: 142741-72-8
CAS Name: ammonium (1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxy-1-cyclohexanolate
OPENEYE Name: ammonium (1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxy-cyclohexanolate
IUPAC Name: azanium (1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxycyclohexan-1-olate
SYSTEMATIC NAME: azanium (1S,2S,3S,4R,5S,6R)-2-[(4-nitrophenoxy)-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)cyclohexan-1-olate
MOLECULAR FORMULA: C12H19N2O11P
MOLECULAR WEIGHT: 398.259821
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2[O-])O)O)O)O.[NH4+]
Structure:
CAS RN: 142733-20-8
CAS Name: 1-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-cyclohexanol
OPENEYE Name: 1-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexanol
IUPAC Name: 1-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
MOLECULAR FORMULA: C16H24ClNO
MOLECULAR WEIGHT: 281.82086
SMILES: CN(C)CC(C1=CC=CC=C1Cl)C2(CCCCC2)O
Structure:
CAS RN: 142733-19-5
CAS Name: 2-[(3-methoxyphenyl)methyl]-1,3-dihydropyrano[2,3-c]pyrazol-6-one
OPENEYE Name: 2-[(3-methoxyphenyl)methyl]-1,3-dihydropyrano[2,3-c]pyrazol-6-one
IUPAC Name: 2-[(3-methoxyphenyl)methyl]-1,3-dihydropyrano[2,3-c]pyrazol-6-one
SYSTEMATIC NAME: 2-[(3-methoxyphenyl)methyl]-1,3-dihydropyrano[2,3-c]pyrazol-6-one
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: COC1=CC=CC(=C1)CN2CC3=C(N2)OC(=O)C=C3
Structure:
CAS RN: 142731-14-4
CAS Name: N-[4-(2,4,7-triamino-6-pteridinyl)phenyl]methanesulfonamide
OPENEYE Name: N-[4-(2,4,7-triaminopteridin-6-yl)phenyl]methanesulfonamide
IUPAC Name: N-[4-(2,4,7-triaminopteridin-6-yl)phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl]methanesulfonamide
MOLECULAR FORMULA: C13H14N8O2S
MOLECULAR WEIGHT: 346.36766
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N
Structure:
CAS RN: 142720-24-9
CAS Name: 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
OPENEYE Name: 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-acetamide
IUPAC Name: 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
SYSTEMATIC NAME: 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-ethanamide
MOLECULAR FORMULA: C28H37FN2O
MOLECULAR WEIGHT: 436.604583
SMILES: CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F
Structure:
CAS RN: 142647-87-8
CAS Name: 2-[[2-[bis[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-4,6-dimethylphenol
OPENEYE Name: 2-[[2-[bis[(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]ethyl-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenol
IUPAC Name: 2-[[2-[bis[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-4,6-dimethylphenol
SYSTEMATIC NAME: 2-[[2-[bis[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]ethyl-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenol
MOLECULAR FORMULA: C38H48N2O4
MOLECULAR WEIGHT: 596.79872
SMILES: CC1=CC(=C(C(=C1)CN(CCN(CC2=CC(=CC(=C2O)C)C)CC3=CC(=CC(=C3O)C)C)CC4=CC(=CC(=C4O)C)C)O)C
Structure:
CAS RN: 77918-04-8
CAS Name: 1-[[4-[(5-amino-6-chloro-2-pyridinyl)amino]phenyl]methyl]-4-(phenylmethyl)piperazine-2,3-dione
OPENEYE Name: 1-[[4-[(5-amino-6-chloro-2-pyridyl)amino]phenyl]methyl]-4-benzyl-piperazine-2,3-dione
IUPAC Name: 1-[[4-[(5-amino-6-chloropyridin-2-yl)amino]phenyl]methyl]-4-benzylpiperazine-2,3-dione
SYSTEMATIC NAME: 1-[[4-[(5-azanyl-6-chloranyl-pyridin-2-yl)amino]phenyl]methyl]-4-(phenylmethyl)piperazine-2,3-dione
MOLECULAR FORMULA: C23H22ClN5O2
MOLECULAR WEIGHT: 435.90608
SMILES: C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC(=C(C=C4)N)Cl
Structure:
CAS RN: 142620-95-9
CAS Name: carbamimidothioic acid 2-[di(propan-2-yl)amino]ethyl ester
OPENEYE Name: 2-[2-(diisopropylamino)ethyl]isothiourea
IUPAC Name: 2-[di(propan-2-yl)amino]ethyl carbamimidothioate
SYSTEMATIC NAME: 2-[di(propan-2-yl)amino]ethyl carbamimidothioate
MOLECULAR FORMULA: C9H21N3S
MOLECULAR WEIGHT: 203.34814
SMILES: CC(C)N(CCSC(=N)N)C(C)C
Structure:
CAS RN: 142618-00-6
CAS Name: N-[2-(2-nitro-1-imidazolyl)ethyl]-9-acridinamine hydrochloride
OPENEYE Name: N-[2-(2-nitroimidazol-1-yl)ethyl]acridin-9-amine hydrochloride
IUPAC Name: N-[2-(2-nitroimidazol-1-yl)ethyl]acridin-9-amine hydrochloride
SYSTEMATIC NAME: N-[2-(2-nitroimidazol-1-yl)ethyl]acridin-9-amine hydrochloride
MOLECULAR FORMULA: C18H16ClN5O2
MOLECULAR WEIGHT: 369.80494
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCN4C=CN=C4[N+](=O)[O-].Cl
Structure:
CAS RN: 142606-55-1
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-carboxy-1-
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-m
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-4-methyl
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene
MOLECULAR FORMULA: C47H66N8O12
MOLECULAR WEIGHT: 935.07334
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)N
Structure:
CAS RN: 142606-53-9
CAS Name: tetracalcium; 2-hydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate
OPENEYE Name: tetracalcium 2-hydroxybutanedioate dicitrate
IUPAC Name: tetracalcium; 2-hydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: tetracalcium; 2-oxidanylbutanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C16H14Ca4O19
MOLECULAR WEIGHT: 670.58296
SMILES: C(C(C(=O)[O-])O)C(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2].[Ca+2]
Structure:
CAS RN: 142570-54-5
CAS Name: (4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-ox
OPENEYE Name: (4S)-5-[[2-[[(1S,2R)-1-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]am
IUPAC Name: (4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-ox
SYSTEMATIC NAME: (4S)-4-[2-[[(2S,3S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-5-[[2-[[(2S,3R)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[2-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-
MOLECULAR FORMULA: C55H84N12O16
MOLECULAR WEIGHT: 1169.32626
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCCCN)N
Structure:
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