CAS RN: 144006-47-3
CAS Name: (2R,3aS,7aS)-1-[[2-[2-[[(2S)-1-[[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-[2-[[[(2S,4S)-4-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-hydroxy-1-oxopr
OPENEYE Name: (2R,3aS,7aS)-1-[2-[2-[[(1S)-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]-[2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-oxo-1-(2-thienylmethyl)ethyl]amino]-3-hydroxy-propanoyl]-3,4-dihydro-1H-isoquinoline-3-ca
IUPAC Name: (2R,3aS,7aS)-1-[2-[2-[[(2S)-1-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-[2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-i
SYSTEMATIC NAME: (2R,3aS,7aS)-1-[[2-[2-[[(2S)-1-[[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-[2-[[(2S,4S)-4-oxidanylpyrrolidin-2-yl]carbonylamino]ethanoyl]amino]-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]amino]-3-oxidanyl-pro
MOLECULAR FORMULA: C47H65N11O11S
MOLECULAR WEIGHT: 992.1511
SMILES: C1CC[C@H]2[C@@H](C1)C[C@@H](N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)N[C@@H](CC5=CC=CS5)C(=O)N(C(=O)CNC(=O)[C@@H]6C[C@@H](CN6)O)C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)N)C(=O)O
Structure:
CAS RN: 143986-30-5
CAS Name: 3,4-dihydroxybenzoic acid [(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl] 3,4-dihydroxybenzoate
IUPAC Name: [(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] 3,4-dihydroxybenzoate
SYSTEMATIC NAME: [(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl] 3,4-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C12H14O8
MOLECULAR WEIGHT: 286.23476
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C2=CC(=C(C=C2)O)O)O)O)O
Structure:
CAS RN: 143984-57-0
CAS Name: 2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propyl]pyrrolidine-2-carbonyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropyl]pyrrolidine-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propyl]pyrrolidin-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C30H39N5O6
MOLECULAR WEIGHT: 565.66056
SMILES: C1C[C@H](N(C1)CC(CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N)C(=O)NCC(=O)O
Structure:
CAS RN: 143983-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: COC(=O)N1CCC2=CC3=C(C=C2C4C1=CC(=O)C4)OCO3
Structure:
CAS RN: 143954-73-8
CAS Name: 4-bromo-6-nitro-2-(1-piperazinyl)quinoline
OPENEYE Name: 4-bromo-6-nitro-2-piperazin-1-yl-quinoline
IUPAC Name: 4-bromo-6-nitro-2-piperazin-1-ylquinoline
SYSTEMATIC NAME: 4-bromanyl-6-nitro-2-piperazin-1-yl-quinoline
MOLECULAR FORMULA: C13H13BrN4O2
MOLECULAR WEIGHT: 337.17192
SMILES: C1CN(CCN1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2)Br
Structure:
CAS RN: 143934-15-0
CAS Name: N-butan-2-yl-1-[5-[[(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-oxomethyl]amino]-2-fluorophenyl]-N-methyl-3-isoquinolinecarboxamide
OPENEYE Name: 1-[5-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-fluoro-phenyl]-N-methyl-N-sec-butyl-isoquinoline-3-carboxamide
IUPAC Name: N-butan-2-yl-1-[5-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-fluorophenyl]-N-methylisoquinoline-3-carboxamide
SYSTEMATIC NAME: 1-[5-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]carbonylamino]-2-fluoranyl-phenyl]-N-butan-2-yl-N-methyl-isoquinoline-3-carboxamide
MOLECULAR FORMULA: C42H32FN3O7
MOLECULAR WEIGHT: 709.717783
SMILES: CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)F
Structure:
CAS RN: 143873-64-7
CAS Name: [(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxy-2-oxanyl]methyl 2-aminoethyl hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl 2-aminoethyl hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl 2-aminoethyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-tris(oxidanyl)oxan-2-yl]methyl 2-azanylethyl hydrogen phosphate
MOLECULAR FORMULA: C10H21N2O9P
MOLECULAR WEIGHT: 344.255501
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)OCCN)O)O
Structure:
CAS RN: 143818-53-5
CAS Name: 4-[[3,3-diethyl-4-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-2-azetidinyl]oxy]benzoic acid
OPENEYE Name: 4-[1-(benzylcarbamoyl)-3,3-diethyl-4-oxo-azetidin-2-yl]oxybenzoic acid
IUPAC Name: 4-[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxybenzoic acid
SYSTEMATIC NAME: 4-[3,3-diethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]azetidin-2-yl]oxybenzoic acid
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O)CC
Structure:
CAS RN: 143782-25-6
CAS Name: 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-sulfanylidene-1-imidazolidinyl)benzonitrile
OPENEYE Name: 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-thioxo-imidazolidin-1-yl)benzonitrile
IUPAC Name: 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
SYSTEMATIC NAME: 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl)benzenecarbonitrile
MOLECULAR FORMULA: C14H12F3N3OS
MOLECULAR WEIGHT: 327.32479
SMILES: CC1(C(=O)N(C(=S)N1C)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
Structure:
CAS RN: 143740-61-8
CAS Name: 2-(2-furanyl)-N10,N10-dimethyl-[1,2,4]triazolo[1,5-c]quinazoline-5,10-diamine; methanesulfonic acid
OPENEYE Name: 2-(2-furyl)-N10,N10-dimethyl-[1,2,4]triazolo[1,5-c]quinazoline-5,10-diamine; methanesulfonic acid
IUPAC Name: 2-(furan-2-yl)-10-N,10-N-dimethyl-[1,2,4]triazolo[1,5-c]quinazoline-5,10-diamine; methanesulfonic acid
SYSTEMATIC NAME: 2-(furan-2-yl)-N10,N10-dimethyl-[1,2,4]triazolo[1,5-c]quinazoline-5,10-diamine; methanesulfonic acid
MOLECULAR FORMULA: C17H22N6O7S2
MOLECULAR WEIGHT: 486.52258
SMILES: CN(C)C1=CC=CC2=C1C3=NC(=NN3C(=N2)N)C4=CC=CO4.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 143732-03-0
CAS Name: (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C13H24O11
MOLECULAR WEIGHT: 356.32306
SMILES: CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Structure:
CAS RN: 143651-48-3
CAS Name: (4R,5S,6R,7R)-5,6,7,8-tetrahydroxy-2-oxo-4-phosphonooxyoctanoic acid
OPENEYE Name: (4R,5S,6R,7R)-5,6,7,8-tetrahydroxy-2-oxo-4-phosphonooxy-octanoic acid
IUPAC Name: (4R,5S,6R,7R)-5,6,7,8-tetrahydroxy-2-oxo-4-phosphonooxyoctanoic acid
SYSTEMATIC NAME: (4R,5S,6R,7R)-5,6,7,8-tetrakis(oxidanyl)-2-oxidanylidene-4-phosphonooxy-octanoic acid
MOLECULAR FORMULA: C8H15O11P
MOLECULAR WEIGHT: 318.171861
SMILES: C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)OP(=O)(O)O)C(=O)C(=O)O
Structure:
CAS RN: 143625-40-5
CAS Name: (8aS)-4,6-dihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methyleneheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
OPENEYE Name: (8aS)-2-[(2R,3R)-3-[(1R)-1,5-dimethyl-4-methylene-hexyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-4,6-dihydroxy-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
IUPAC Name: (8aS)-4,6-dihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylideneheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
SYSTEMATIC NAME: (8aS)-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylidene-heptan-2-yl]cyclopentyl]-8a-methyl-4,6-bis(oxidanyl)-4,4a,5,6,7,8-hexahydronaphthalen-1-one
MOLECULAR FORMULA: C28H46O4
MOLECULAR WEIGHT: 446.66244
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CCC([C@]1(C)CCO)C2=CC(C3CC(CC[C@@]3(C2=O)C)O)O
Structure:
CAS RN: 143625-39-2
CAS Name: (8aS)-4,6-dihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
OPENEYE Name: (8aS)-2-[(2R,3R)-3-[(1R)-1,5-dimethylhexyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-4,6-dihydroxy-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
IUPAC Name: (8aS)-4,6-dihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
SYSTEMATIC NAME: (8aS)-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-4,6-bis(oxidanyl)-4,4a,5,6,7,8-hexahydronaphthalen-1-one
MOLECULAR FORMULA: C27H46O4
MOLECULAR WEIGHT: 434.65174
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC([C@]1(C)CCO)C2=CC(C3CC(CC[C@@]3(C2=O)C)O)O
Structure:
CAS RN: 143605-56-5
CAS Name: (1S,2R,4aS,8aR)-2-[(2R)-2-hydroxybutyl]-3-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,2R,4aS,8aR)-2-[(2R)-2-hydroxybutyl]-3-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
IUPAC Name: methyl (1S,2R,4aS,8aR)-2-[(2R)-2-hydroxybutyl]-3-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
SYSTEMATIC NAME: methyl (1S,2R,4aS,8aR)-3-methyl-2-[(2R)-2-oxidanylbutyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CC[C@H](C[C@@H]1[C@H]([C@@H]2CCCC[C@@H]2C=C1C)C(=O)OC)O
Structure:
CAS RN: 143601-11-0
CAS Name: (2S,3R,4S,5S,6R)-2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-(2,4,6-trichloro-3-methoxy-5-methyl-phenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[2,4,6-tris(chloranyl)-3-methoxy-5-methyl-phenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C19H25Cl3O11
MOLECULAR WEIGHT: 535.7542
SMILES: CC1=C(C(=C(C(=C1Cl)OC)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O)Cl
Structure:
CAS RN: 143601-09-6
CAS Name: 2-hydroxy-6-methoxybenzoic acid [5-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methyl ester
OPENEYE Name: [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl 2-hydroxy-6-methoxy-benzoate
IUPAC Name: [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-methoxybenzoate
SYSTEMATIC NAME: [2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-phenyl]methyl 2-methoxy-6-oxidanyl-benzoate
MOLECULAR FORMULA: C21H24O11
MOLECULAR WEIGHT: 452.40866
SMILES: COC1=CC=CC(=C1C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Structure:
CAS RN: 143526-87-8
CAS Name: [(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
OPENEYE Name: [(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
IUPAC Name: [(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
SYSTEMATIC NAME: [(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: COC1=CC(=CC(=C1)C2=N[C@@H](CC3=CC(=C(C=C32)OC)OC)CO)OC
Structure:
CAS RN: 143508-76-3
CAS Name: 2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine
OPENEYE Name: 2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine
IUPAC Name: 2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine
SYSTEMATIC NAME: 2-(3-methyl-8,9-dihydro-7H-pyrano[3,2-e]indol-1-yl)ethanamine
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: CN1C=C(C2=C1C=CC3=C2CCCO3)CCN
Structure:
CAS RN: 143502-52-7
CAS Name: hexanoic acid [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ester
OPENEYE Name: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexanoate
IUPAC Name: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexanoate
SYSTEMATIC NAME: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexanoate
MOLECULAR FORMULA: C36H60O2
MOLECULAR WEIGHT: 524.8604
SMILES: CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)C(=C)C)C
Structure:
CAS RN: 143494-72-8
CAS Name: 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
OPENEYE Name: 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
IUPAC Name: 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SYSTEMATIC NAME: 2-ethyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
MOLECULAR FORMULA: C25H21N5O
MOLECULAR WEIGHT: 407.46714
SMILES: CCC1=NC2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
Structure:
CAS RN: 143460-23-5
CAS Name: 2-(3-aminopropylamino)-6-[(1R,2S)-1,2-dihydroxypropyl]-1H-pteridin-4-one
OPENEYE Name: 2-(3-aminopropylamino)-6-[(1R,2S)-1,2-dihydroxypropyl]-1H-pteridin-4-one
IUPAC Name: 2-(3-aminopropylamino)-6-[(1R,2S)-1,2-dihydroxypropyl]-1H-pteridin-4-one
SYSTEMATIC NAME: 2-(3-azanylpropylamino)-6-[(1R,2S)-1,2-bis(oxidanyl)propyl]-1H-pteridin-4-one
MOLECULAR FORMULA: C12H18N6O3
MOLECULAR WEIGHT: 294.30972
SMILES: C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)N=C(N2)NCCCN)O)O
Structure:
CAS RN: 143445-84-5
CAS Name: 2-(2-methyl-2-oxiranyl)ethyl phosphono hydrogen phosphate
OPENEYE Name: 2-(2-methyloxiran-2-yl)ethyl phosphono hydrogen phosphate
IUPAC Name: 2-(2-methyloxiran-2-yl)ethyl phosphono hydrogen phosphate
SYSTEMATIC NAME: 2-(2-methyloxiran-2-yl)ethyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C5H12O8P2
MOLECULAR WEIGHT: 262.091502
SMILES: CC1(CO1)CCOP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 143436-21-9
CAS Name: (8R,9S,10R,12R,13R,14R,17S)-17-[(2S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12-diol
OPENEYE Name: (8R,9S,10R,12R,13R,14R,17S)-17-[(2S)-4-hydroxy-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12-diol
IUPAC Name: (8R,9S,10R,12R,13R,14R,17S)-17-[(2S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12-diol
SYSTEMATIC NAME: (8R,9S,10R,12R,13R,14R,17S)-4,4,10,14-tetramethyl-17-[(2S)-2-methyl-4-oxidanyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12-diol
MOLECULAR FORMULA: C29H50O5
MOLECULAR WEIGHT: 478.7043
SMILES: C[C@]12CC[C@@H]([C@H]1[C@@H](C[C@H]3[C@H]2CCC4[C@@]3(CCC(C4(C)C)O)C)O)[C@@]5(CC(C(O5)C(C)(C)O)O)C
Structure:
CAS RN: 143392-33-0
CAS Name: 3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-1,6-dioxohexoxy]benzenesulfonic acid
OPENEYE Name: 3-nitro-4-[6-(2-nitro-4-sulfo-phenoxy)-6-oxo-hexanoyl]oxy-benzenesulfonic acid
IUPAC Name: 3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid
SYSTEMATIC NAME: 3-nitro-4-[6-(2-nitro-4-sulfo-phenoxy)-6-oxidanylidene-hexanoyl]oxy-benzenesulfonic acid
MOLECULAR FORMULA: C18H16N2O14S2
MOLECULAR WEIGHT: 548.45464
SMILES: C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])OC(=O)CCCCC(=O)OC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 143380-65-8
CAS Name: N4-(6-aminohexyl)-N6-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4,6-triamine
OPENEYE Name: N4-(6-aminohexyl)-N6-ethyl-N2-isopropyl-1,3,5-triazine-2,4,6-triamine
IUPAC Name: 4-N-(6-aminohexyl)-6-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N4-(6-azanylhexyl)-N6-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C14H29N7
MOLECULAR WEIGHT: 295.42696
SMILES: CCNC1=NC(=NC(=N1)NC(C)C)NCCCCCCN
Structure:
CAS RN: 143347-04-0
CAS Name: N-methyl-N-prop-2-ynyl-2-hexanamine
OPENEYE Name: N-methyl-N-prop-2-ynyl-hexan-2-amine
IUPAC Name: N-methyl-N-prop-2-ynylhexan-2-amine
SYSTEMATIC NAME: N-methyl-N-prop-2-ynyl-hexan-2-amine
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: CCCCC(C)N(C)CC#C
Structure:
CAS RN: 143347-01-7
CAS Name: N-methyl-N-prop-2-ynyl-2-pentanamine
OPENEYE Name: N-methyl-N-prop-2-ynyl-pentan-2-amine
IUPAC Name: N-methyl-N-prop-2-ynylpentan-2-amine
SYSTEMATIC NAME: N-methyl-N-prop-2-ynyl-pentan-2-amine
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CCCC(C)N(C)CC#C
Structure:
CAS RN: 143321-74-8
CAS Name: N-methyl-1-[3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indol-5-yl]methanesulfonamide
OPENEYE Name: N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
IUPAC Name: N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
SYSTEMATIC NAME: N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
MOLECULAR FORMULA: C16H23N3O2S
MOLECULAR WEIGHT: 321.43772
SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2C[C@H]3CCCN3C
Structure:
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