CAS RN: 145523-80-4
CAS Name: (5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-hexanesulfonic acid
OPENEYE Name: (5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexane-1-sulfonic acid
IUPAC Name: (5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexane-1-sulfonic acid
SYSTEMATIC NAME: (5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexane-1-sulfonic acid
MOLECULAR FORMULA: C25H44O5S
MOLECULAR WEIGHT: 456.67886
SMILES: C[C@H](CCCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Structure:
CAS RN: 145523-79-1
CAS Name: (3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-butanesulfonic acid
OPENEYE Name: (3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid
IUPAC Name: (3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid
SYSTEMATIC NAME: (3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid
MOLECULAR FORMULA: C23H40O5S
MOLECULAR WEIGHT: 428.6257
SMILES: C[C@H](CCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Structure:
CAS RN: 145514-00-7
CAS Name: [(2R,4S)-4-(2-amino-6-chloro-9-purinyl)-1,3-dioxolan-2-yl]methanol
OPENEYE Name: [(2R,4S)-4-(2-amino-6-chloro-purin-9-yl)-1,3-dioxolan-2-yl]methanol
IUPAC Name: [(2R,4S)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
SYSTEMATIC NAME: [(2R,4S)-4-(2-azanyl-6-chloranyl-purin-9-yl)-1,3-dioxolan-2-yl]methanol
MOLECULAR FORMULA: C9H10ClN5O3
MOLECULAR WEIGHT: 271.6604
SMILES: C1[C@H](O[C@@H](O1)CO)N2C=NC3=C2N=C(N=C3Cl)N
Structure:
CAS RN: 145458-99-7
CAS Name: (3S,3aS,7R,8aS,8bS)-6-(3-hydroxypropyl)-3,3a-dimethyl-7-(1-methylethenyl)-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
OPENEYE Name: (3S,3aS,7R,8aS,8bS)-6-(3-hydroxypropyl)-7-isopropenyl-3,3a-dimethyl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
IUPAC Name: (3S,3aS,7R,8aS,8bS)-6-(3-hydroxypropyl)-3,3a-dimethyl-7-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
SYSTEMATIC NAME: (3S,3aS,7R,8aS,8bS)-3,3a-dimethyl-6-(3-oxidanylpropyl)-7-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: CC(=C)[C@H]1C[C@H]2[C@@H]3CC[C@]([C@]3(CCC2=C1CCCO)C)(C)O
Structure:
CAS RN: 145458-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C[C@@]1(CC[C@@H]2C1(CCC3=C4CC[C@@H](CC(=C)[C@H]4C[C@@H]23)O)C)O
Structure:
CAS RN: 145438-97-7
CAS Name: N,3-dimethyl-5-[methyl(nitroso)amino]-N-nitroso-4-imidazolecarboxamide
OPENEYE Name: N,3-dimethyl-5-[methyl(nitroso)amino]-N-nitroso-imidazole-4-carboxamide
IUPAC Name: N,3-dimethyl-5-[methyl(nitroso)amino]-N-nitrosoimidazole-4-carboxamide
SYSTEMATIC NAME: N,3-dimethyl-5-[methyl(nitroso)amino]-N-nitroso-imidazole-4-carboxamide
MOLECULAR FORMULA: C7H10N6O3
MOLECULAR WEIGHT: 226.1927
SMILES: CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O
Structure:
CAS RN: 145438-96-6
CAS Name: N,3-dimethyl-5-[methyl(nitroso)amino]-4-imidazolecarboxamide
OPENEYE Name: N,3-dimethyl-5-[methyl(nitroso)amino]imidazole-4-carboxamide
IUPAC Name: N,3-dimethyl-5-[methyl(nitroso)amino]imidazole-4-carboxamide
SYSTEMATIC NAME: N,3-dimethyl-5-[methyl(nitroso)amino]imidazole-4-carboxamide
MOLECULAR FORMULA: C7H11N5O2
MOLECULAR WEIGHT: 197.19454
SMILES: CNC(=O)C1=C(N=CN1C)N(C)N=O
Structure:
CAS RN: 145385-69-9
CAS Name: 1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)-1-cyclohexanol
OPENEYE Name: 1-(hydroxymethyl)-4-(1-hydroxy-1-methyl-ethyl)cyclohexanol
IUPAC Name: 1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(hydroxymethyl)-4-(2-oxidanylpropan-2-yl)cyclohexan-1-ol
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CC(C)(C1CCC(CC1)(CO)O)O
Structure:
CAS RN: 145385-64-4
CAS Name: (4R,6S)-4-hydroxy-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-1-cyclohex-2-enone
OPENEYE Name: (4R,6S)-4-hydroxy-6-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-3-methyl-cyclohex-2-en-1-one
IUPAC Name: (4R,6S)-4-hydroxy-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
SYSTEMATIC NAME: (4R,6S)-3-methyl-6-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-4-oxidanyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: CC1=CC(=O)[C@@H](C[C@H]1O)[C@](C)(CCC=C(C)C)O
Structure:
CAS RN: 145345-85-3
CAS Name: 2,3,5,6-tetrakis(methylthio)benzene-1,4-diol
OPENEYE Name: 2,3,5,6-tetrakis(methylsulfanyl)benzene-1,4-diol
IUPAC Name: 2,3,5,6-tetrakis(methylsulfanyl)benzene-1,4-diol
SYSTEMATIC NAME: 2,3,5,6-tetrakis(methylsulfanyl)benzene-1,4-diol
MOLECULAR FORMULA: C10H14O2S4
MOLECULAR WEIGHT: 294.47696
SMILES: CSC1=C(C(=C(C(=C1SC)O)SC)SC)O
Structure:
CAS RN: 145328-92-3
CAS Name: 5-[[6-(diaminomethylideneamino)-1-oxohexyl]amino]pentanoic acid
OPENEYE Name: 5-(6-guanidinohexanoylamino)pentanoic acid
IUPAC Name: 5-[6-(diaminomethylideneamino)hexanoylamino]pentanoic acid
SYSTEMATIC NAME: 5-[6-[bis(azanyl)methylideneamino]hexanoylamino]pentanoic acid
MOLECULAR FORMULA: C12H24N4O3
MOLECULAR WEIGHT: 272.34396
SMILES: C(CCC(=O)NCCCCC(=O)O)CCN=C(N)N
Structure:
CAS RN: 145284-65-7
CAS Name: 6-(2-aminopropyl)-1,3-benzodioxol-5-ol
OPENEYE Name: 6-(2-aminopropyl)-1,3-benzodioxol-5-ol
IUPAC Name: 6-(2-aminopropyl)-1,3-benzodioxol-5-ol
SYSTEMATIC NAME: 6-(2-azanylpropyl)-1,3-benzodioxol-5-ol
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CC(CC1=CC2=C(C=C1O)OCO2)N
Structure:
CAS RN: 145196-57-2
CAS Name: (2R,3R,4S,5R)-6-amino-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R)-6-amino-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R)-6-amino-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R)-6-azanyl-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
MOLECULAR FORMULA: C6H12N2O4
MOLECULAR WEIGHT: 176.17048
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(=N1)N)O)O)O)O
Structure:
CAS RN: 145196-52-7
CAS Name: 1-acetyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: 1-acetyl-N-[1-methyl-2-[[1-methyl-2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide
IUPAC Name: 1-acetyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 1-ethanoyl-N-[1-[[1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C14H24N4O4
MOLECULAR WEIGHT: 312.36476
SMILES: CC(C(=O)NC(C)C(=O)NC)NC(=O)C1CCCN1C(=O)C
Structure:
CAS RN: 145194-46-3
CAS Name: 2-[dimethylamino(fluoro)phosphoryl]-N,N-dimethylethanamine
OPENEYE Name: 2-[dimethylamino(fluoro)phosphoryl]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[dimethylamino(fluoro)phosphoryl]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[dimethylamino(fluoranyl)phosphoryl]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C6H16FN2OP
MOLECULAR WEIGHT: 182.176204
SMILES: CN(C)CCP(=O)(N(C)C)F
Structure:
CAS RN: 145194-32-7
CAS Name: 2-[3-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-1-pyrazolo[3,4-b]pyridinyl]acetic acid
OPENEYE Name: 2-[3-[4-[2-(dimethylamino)-1-methyl-ethoxy]phenyl]pyrazolo[3,4-b]pyridin-1-yl]acetic acid
IUPAC Name: 2-[3-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]pyrazolo[3,4-b]pyridin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]pyrazolo[3,4-b]pyridin-1-yl]ethanoic acid
MOLECULAR FORMULA: C19H22N4O3
MOLECULAR WEIGHT: 354.40298
SMILES: CC(CN(C)C)OC1=CC=C(C=C1)C2=NN(C3=C2C=CC=N3)CC(=O)O
Structure:
CAS RN: 145165-11-3
CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethyl-4,9,10,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C26H29NO9
MOLECULAR WEIGHT: 499.50976
SMILES: CCC1(CC(C2=C(C1O)C(=C3C(=C2)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)N)O
Structure:
CAS RN: 145165-10-2
CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethyl-1,4,6,9,10,11-hexakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C26H29NO11
MOLECULAR WEIGHT: 531.50856
SMILES: CCC1(CC(C2=C(C3=C(C(=C2C1O)O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)O)N)O
Structure:
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