CAS RN: 149475-53-6
CAS Name: 1-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]phenyl]ethanone
OPENEYE Name: 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxyphenyl]ethanone
IUPAC Name: 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
SYSTEMATIC NAME: 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
MOLECULAR FORMULA: C19H26O11
MOLECULAR WEIGHT: 430.40314
SMILES: CC(=O)C1=CC=C(C=C1)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
Structure:
CAS RN: 149475-52-5
CAS Name: 1-[5-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]ethanone
OPENEYE Name: 1-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
IUPAC Name: 1-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
SYSTEMATIC NAME: 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-phenyl]ethanone
MOLECULAR FORMULA: C14H18O8
MOLECULAR WEIGHT: 314.28792
SMILES: CC(=O)C1=C(C=CC(=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 6631-83-0
CAS Name: (6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c][1]benzopyran-1-ol
OPENEYE Name: (6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
IUPAC Name: (6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
SYSTEMATIC NAME: (6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: CCCCCC1=CC2=C([C@@H]3C[C@@H](CC[C@H]3C(O2)(C)C)CO)C(=C1)O
Structure:
CAS RN: 149471-08-9
CAS Name: 4a,7-dihydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
OPENEYE Name: 4a,7-dihydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
IUPAC Name: 4a,7-dihydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
SYSTEMATIC NAME: 1,4-dimethyl-4a,7-bis(oxidanyl)-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
MOLECULAR FORMULA: C19H16O4
MOLECULAR WEIGHT: 308.32794
SMILES: CC1=C2C=C3C(=O)C4=C(C=C(C=C4)O)C(=O)C3(C(=C2CC1)C)O
Structure:
CAS RN: 149341-40-2
CAS Name: [(2R)-2-acetyloxy-4-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-oxobutyl]-trimethylammonium
OPENEYE Name: [(2R)-2-acetoxy-4-[[(1S)-1-carboxy-4-guanidino-butyl]amino]-4-oxo-butyl]-trimethyl-ammonium
IUPAC Name: [(2R)-2-acetyloxy-4-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-oxobutyl]-trimethylazanium
SYSTEMATIC NAME: [(2R)-2-acetyloxy-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butyl]-trimethyl-azanium
MOLECULAR FORMULA: C15H30N5O5+
MOLECULAR WEIGHT: 360.4292
SMILES: CC(=O)O[C@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C[N+](C)(C)C
Structure:
CAS RN: 148627-84-3
CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2-oxochromene-3-carboxylate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-oxochromene-3-carboxylate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-oxidanylidenechromene-3-carboxylate
MOLECULAR FORMULA: C14H9NO6
MOLECULAR WEIGHT: 287.22436
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC3=CC=CC=C3OC2=O
Structure:
CAS RN: 148672-09-7
CAS Name: sulfamic acid [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
IUPAC Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
SYSTEMATIC NAME: [(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
MOLECULAR FORMULA: C18H23NO4S
MOLECULAR WEIGHT: 349.44452
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N
Structure:
CAS RN: 148717-91-3
CAS Name: (3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]pyrrolidine-2,5-dione
OPENEYE Name: (3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
IUPAC Name: (3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-chloranyl-5,5,8a-trimethyl-2-methylidene-3-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C20H30ClNO4
MOLECULAR WEIGHT: 383.9095
SMILES: C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl
Structure:
CAS RN: 149199-48-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44O7
MOLECULAR WEIGHT: 516.66616
SMILES: CC1=CC[C@@]2(CC[C@@]3([C@H]4[C@@H](C[C@]5(COC(=O)C=C[C@H]5[C@@]4(CC[C@]3([C@@]2(C1)O)C(=O)OC)C)[C@@H](C)O)O)C)C
Structure:
CAS RN: 100891-41-6
CAS Name: 6-methyl-2-oxo-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid
OPENEYE Name: 6-methyl-2-oxo-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid
IUPAC Name: 6-methyl-2-oxo-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid
SYSTEMATIC NAME: 6-methyl-2-oxidanylidene-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid
MOLECULAR FORMULA: C16H13NO5
MOLECULAR WEIGHT: 299.27812
SMILES: CC1CC2=CC3=C(C=C2C4=CC(=O)C(=CN14)C(=O)O)OCO3
Structure:
CAS RN: 100890-94-6
CAS Name: 2,8-diamino-9-(phenylmethyl)-3H-purin-6-one
OPENEYE Name: 2,8-diamino-9-benzyl-3H-purin-6-one
IUPAC Name: 2,8-diamino-9-benzyl-3H-purin-6-one
SYSTEMATIC NAME: 2,8-bis(azanyl)-9-(phenylmethyl)-3H-purin-6-one
MOLECULAR FORMULA: C12H12N6O
MOLECULAR WEIGHT: 256.26328
SMILES: C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2N
Structure:
CAS RN: 149204-50-2
CAS Name: (2S)-2-amino-5-[(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)amino]pentanoic acid
OPENEYE Name: (2S)-2-amino-5-[(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)amino]pentanoic acid
IUPAC Name: (2S)-2-amino-5-[(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[(4-methyl-5-oxidanylidene-1,4-dihydroimidazol-2-yl)amino]pentanoic acid
MOLECULAR FORMULA: C9H16N4O3
MOLECULAR WEIGHT: 228.24834
SMILES: CC1C(=O)NC(=N1)NCCC[C@@H](C(=O)O)N
Structure:
CAS RN: 126233-96-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21N3O
MOLECULAR WEIGHT: 271.35744
SMILES: CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=O
Structure:
CAS RN: 149206-69-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21N3O
MOLECULAR WEIGHT: 271.35744
SMILES: CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=O
Structure:
CAS RN: 100850-30-4
CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoate
IUPAC Name: ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate
SYSTEMATIC NAME: ethyl 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoate
MOLECULAR FORMULA: C13H16I3NO2
MOLECULAR WEIGHT: 598.98505
SMILES: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)OCC
Structure:
CAS RN: 100849-95-4
CAS Name: 6-(2,5-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b]thiazole
OPENEYE Name: 6-(2,5-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b]thiazole
IUPAC Name: 6-(2,5-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 6-(2,5-dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: COC1=CC(=C(C=C1)OC)C2=CN3CCSC3=N2
Structure:
CAS RN: 149297-15-4
CAS Name: [(4aR,5R,7R,7aR)-5-(hydroxymethyl)-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]dioxin-7-yl]methanol
OPENEYE Name: [(4aR,5R,7R,7aR)-5-(hydroxymethyl)-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]dioxin-7-yl]methanol
IUPAC Name: [(4aR,5R,7R,7aR)-5-(hydroxymethyl)-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]dioxin-7-yl]methanol
SYSTEMATIC NAME: [(4aR,5R,7R,7aR)-5-(hydroxymethyl)-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]dioxin-7-yl]methanol
MOLECULAR FORMULA: C8H14O5
MOLECULAR WEIGHT: 190.19376
SMILES: C1CO[C@@H]2[C@H](O[C@@H]([C@H]2O1)CO)CO
Structure:
CAS RN: 100839-37-0
CAS Name: (2R)-3-[[3-[(2,5-dioxo-3-sulfo-1-pyrrolidinyl)oxy]-3-oxo-2-(1-pyrenylamino)propyl]disulfanyl]-2-(1-pyrenylamino)propanoic acid
OPENEYE Name: (2R)-3-[[3-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid
IUPAC Name: (2R)-3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid
SYSTEMATIC NAME: (2R)-3-[[3-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]oxy-3-oxidanylidene-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid
MOLECULAR FORMULA: C42H31N3O9S3
MOLECULAR WEIGHT: 817.90524
SMILES: C1C(C(=O)N(C1=O)OC(=O)C(CSSC[C@@H](C(=O)O)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)NC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)S(=O)(=O)O
Structure:
CAS RN: 100649-20-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@@H]5[C@H]([C@H]34)O5
Structure:
CAS RN: 100648-98-4
CAS Name: (7S,9R)-7-[[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(hydroxymethyl)-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9R)-7-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(hydroxymethyl)-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9R)-7-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(hydroxymethyl)-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9R)-9-(hydroxymethyl)-7-[(2S,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C25H26O10
MOLECULAR WEIGHT: 486.46794
SMILES: C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(CO)O)O)O
Structure:
CAS RN: 100648-13-3
CAS Name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfinyl-1H-benzimidazole
OPENEYE Name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfinyl-1H-benzimidazole
IUPAC Name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfinyl-1H-benzimidazole
SYSTEMATIC NAME: 5-[2,3-bis(chloranyl)phenoxy]-6-chloranyl-2-methylsulfinyl-1H-benzimidazole
MOLECULAR FORMULA: C14H9Cl3N2O2S
MOLECULAR WEIGHT: 375.65746
SMILES: CS(=O)C1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
Structure:
CAS RN: 100645-45-2
CAS Name: (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-(4-nitrophenoxy)oxolane-3,4-diol
OPENEYE Name: (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-(4-nitrophenoxy)tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-(4-nitrophenoxy)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-5-(4-nitrophenoxy)oxolane-3,4-diol
MOLECULAR FORMULA: C12H15NO8
MOLECULAR WEIGHT: 301.2494
SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O
Structure:
CAS RN: 100644-00-6
CAS Name: 1,3,3-trimethyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-indolone
OPENEYE Name: 1,3,3-trimethyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indolin-2-one
IUPAC Name: 1,3,3-trimethyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
SYSTEMATIC NAME: 1,3,3-trimethyl-6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
MOLECULAR FORMULA: C16H19N3O2
MOLECULAR WEIGHT: 285.34096
SMILES: CC1CC(=O)NN=C1C2=CC3=C(C=C2)C(C(=O)N3C)(C)C
Structure:
CAS RN: 100634-21-7
CAS Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C16H24N8O15P2
MOLECULAR WEIGHT: 630.353882
SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=[N+]=[N-]
Structure:
CAS RN: 100630-79-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H22O13
MOLECULAR WEIGHT: 614.50928
SMILES: CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C=C(C=C4O)C5=CC6=C(C(=C5)O)C(=O)C78C9C(CC(=O)O9)OC(C7(C6=O)O8)C
Structure:
CAS RN: 100572-96-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14N4
MOLECULAR WEIGHT: 310.35196
SMILES: C1=CC2=C3C=CC(=CC=C4C=CC(=N4)C5=NC(=CC=C1N2)C=C5)N3
Structure:
CAS RN: 100567-88-2
CAS Name: N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-amine hydrochloride
OPENEYE Name: N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-amine hydrochloride
IUPAC Name: N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-amine hydrochloride
SYSTEMATIC NAME: N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-amine hydrochloride
MOLECULAR FORMULA: C8H13ClN2S
MOLECULAR WEIGHT: 204.72022
SMILES: CNC1CCC2=C(C1)N=CS2.Cl
Structure:
CAS RN: 100566-83-4
CAS Name: (2S)-2-[[(2S)-2-amino-7-(heptylamino)-1,7-dioxoheptyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-7-(heptylamino)-7-oxo-heptanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-7-(heptylamino)-7-oxoheptanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-7-(heptylamino)-7-oxidanylidene-heptanoyl]amino]-2-[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid
MOLECULAR FORMULA: C24H39N5O9
MOLECULAR WEIGHT: 541.59456
SMILES: CCCCCCCNC(=O)CCCC[C@@H](C(=O)N[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)C(=O)O)N
Structure:
CAS RN: 100566-82-3
CAS Name: (2S)-2-[[(2S)-2-amino-5-(octylamino)-1,5-dioxopentyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-5-(octylamino)-5-oxo-pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-5-(octylamino)-5-oxopentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-5-(octylamino)-5-oxidanylidene-pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid
MOLECULAR FORMULA: C23H37N5O9
MOLECULAR WEIGHT: 527.56798
SMILES: CCCCCCCCNC(=O)CC[C@@H](C(=O)N[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)C(=O)O)N
Structure:
CAS RN: 100557-07-1
CAS Name: 2-[hexyl-[5-(1-piperidinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
OPENEYE Name: 2-[hexyl-[5-(1-piperidyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
IUPAC Name: 2-[hexyl-(5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SYSTEMATIC NAME: 2-[hexyl-(5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
MOLECULAR FORMULA: C18H30N6O
MOLECULAR WEIGHT: 346.4704
SMILES: CCCCCCN(CCO)C1=CC(=NC2=NC=NN12)N3CCCCC3
Structure:
CAS RN: 100557-06-0
CAS Name: 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexylamino]ethanol
OPENEYE Name: 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexyl-amino]ethanol
IUPAC Name: 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexylamino]ethanol
SYSTEMATIC NAME: 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexyl-amino]ethanol
MOLECULAR FORMULA: C17H30N6O
MOLECULAR WEIGHT: 334.4597
SMILES: CCCCCCN(CCO)C1=CC(=NC2=NC=NN12)N(CC)CC
Structure:
CAS RN: 100551-58-4
CAS Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]-1,2-benzoquinone
IUPAC Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC(=O)C(=O)C=C2
Structure:
CAS RN: 100515-08-0
CAS Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2-oxo-4-propan-2-yloxy-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(4-isopropoxy-5-methyl-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2-oxo-4-propan-2-yloxypyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5R)-5-(5-methyl-2-oxidanylidene-4-propan-2-yloxy-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C13H23N2O14P3
MOLECULAR WEIGHT: 524.248003
SMILES: CC1=CN(C(=O)N=C1OC(C)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 100513-78-8
CAS Name: 3-(2-aminoethyl)-7-hydroxy-1H-indole-4,5-dione
OPENEYE Name: 3-(2-aminoethyl)-7-hydroxy-1H-indole-4,5-dione
IUPAC Name: 3-(2-aminoethyl)-7-hydroxy-1H-indole-4,5-dione
SYSTEMATIC NAME: 3-(2-azanylethyl)-7-oxidanyl-1H-indole-4,5-dione
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1=C(C2=C(C(=CN2)CCN)C(=O)C1=O)O
Structure:
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