CAS RN: 7756-94-7
CAS Name: 4-chloro-1-[4-(4-chloro-1-oxobutyl)-2,3-dihydroquinoxalin-1-yl]-1-butanone
OPENEYE Name: 4-chloro-1-[4-(4-chlorobutanoyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
IUPAC Name: 4-chloro-1-[4-(4-chlorobutanoyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
SYSTEMATIC NAME: 4-chloranyl-1-[4-(4-chloranylbutanoyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
MOLECULAR FORMULA: C16H20Cl2N2O2
MOLECULAR WEIGHT: 343.2482
SMILES: C1CN(C2=CC=CC=C2N1C(=O)CCCCl)C(=O)CCCCl
Structure:
CAS RN: 7741-91-5
CAS Name: 3-chloro-1-[4-(3-chloro-1-oxopropyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]-1-propanone
OPENEYE Name: 3-chloro-1-[4-(3-chloropropanoyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]propan-1-one
IUPAC Name: 3-chloro-1-[4-(3-chloropropanoyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-chloranyl-1-[4-(3-chloranylpropanoyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]propan-1-one
MOLECULAR FORMULA: C16H20Cl2N2O2
MOLECULAR WEIGHT: 343.2482
SMILES: CC1=CC2=C(C=C1C)N(CCN2C(=O)CCCl)C(=O)CCCl
Structure:
CAS RN: 77-62-3
CAS Name: 2-chloro-1-[4-(2-chloro-1-oxoethyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
OPENEYE Name: 2-chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
IUPAC Name: 2-chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[4-(2-chloranylethanoyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
MOLECULAR FORMULA: C14H16Cl2N2O2
MOLECULAR WEIGHT: 315.19504
SMILES: CC1C(N(C2=CC=CC=C2N1C(=O)CCl)C(=O)CCl)C
Structure:
CAS RN: 77862-92-1
CAS Name: 2-chloro-1-[4-(2-chloro-1-oxoethyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
OPENEYE Name: 2-chloro-1-[4-(2-chloroacetyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
IUPAC Name: 2-chloro-1-[4-(2-chloroacetyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[4-(2-chloranylethanoyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
MOLECULAR FORMULA: C14H16Cl2N2O2
MOLECULAR WEIGHT: 315.19504
SMILES: CC1=CC2=C(C=C1C)N(CCN2C(=O)CCl)C(=O)CCl
Structure:
CAS RN: 41288-12-4
CAS Name: acetic acid [3,4-diacetyloxy-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H18N2O9
MOLECULAR WEIGHT: 370.31142
SMILES: CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C
Structure:
CAS RN: 14057-18-2
CAS Name: acetic acid [3,4-diacetyloxy-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H18N2O9
MOLECULAR WEIGHT: 370.31142
SMILES: CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C
Structure:
CAS RN: 6232-42-4
CAS Name: N-(4-hydroxyphenyl)carbamic acid (4-aminophenyl) ester
OPENEYE Name: (4-aminophenyl) N-(4-hydroxyphenyl)carbamate
IUPAC Name: (4-aminophenyl) N-(4-hydroxyphenyl)carbamate
SYSTEMATIC NAME: (4-aminophenyl) N-(4-hydroxyphenyl)carbamate
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: C1=CC(=CC=C1N)OC(=O)NC2=CC=C(C=C2)O
Structure:
CAS RN: 3566-25-4
CAS Name: 2-[[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H21N7O6
MOLECULAR WEIGHT: 455.42404
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Structure:
CAS RN: 14985-44-5
CAS Name: 5-(6-amino-8-bromo-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-amino-8-bromo-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-azanyl-8-bromanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12BrN5O3
MOLECULAR WEIGHT: 330.13798
SMILES: C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2Br)CO)O
Structure:
CAS RN: 3001-46-5
CAS Name: 8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-2,6-dione
OPENEYE Name: 8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione
IUPAC Name: 8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
SYSTEMATIC NAME: 8-bromanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione
MOLECULAR FORMULA: C10H11BrN4O6
MOLECULAR WEIGHT: 363.12154
SMILES: C(C1C(C(C(O1)N2C3=C(C(=O)NC(=O)N3)N=C2Br)O)O)O
Structure:
CAS RN: 2946-39-6
CAS Name: 2-(6-amino-8-bromo-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12BrN5O4
MOLECULAR WEIGHT: 346.13738
SMILES: C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)Br
Structure:
CAS RN: 31281-86-4
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-8-bromo-9-purinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-amino-8-bromo-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-azanyl-8-bromanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18BrN5O7
MOLECULAR WEIGHT: 472.24742
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)N=C2Br)OC(=O)C)OC(=O)C
Structure:
CAS RN: 15830-53-2
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-8-bromo-9-purinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-amino-8-bromo-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-azanyl-8-bromanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18BrN5O7
MOLECULAR WEIGHT: 472.24742
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)N=C2Br)OC(=O)C)OC(=O)C
Structure:
CAS RN: 15830-59-8
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-8-bromo-9-purinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-amino-8-bromo-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-amino-8-bromopurin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-azanyl-8-bromanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18BrN5O7
MOLECULAR WEIGHT: 472.24742
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)N=C2Br)OC(=O)C)OC(=O)C
Structure:
CAS RN: 15717-45-0
CAS Name: acetic acid [3,4-diacetyloxy-5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18BrN5O8
MOLECULAR WEIGHT: 488.24682
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)OC(=O)C)OC(=O)C
Structure:
CAS RN: 93162-33-5
CAS Name: chloro-N-(2,4-dimethylphenyl)phosphonamidic acid
OPENEYE Name: chloro-N-(2,4-dimethylphenyl)phosphonamidic acid
IUPAC Name: chloro-N-(2,4-dimethylphenyl)phosphonamidic acid
SYSTEMATIC NAME: chloranyl-N-(2,4-dimethylphenyl)phosphonamidic acid
MOLECULAR FORMULA: C8H11ClNO2P
MOLECULAR WEIGHT: 219.605201
SMILES: CC1=CC(=C(C=C1)NP(=O)(O)Cl)C
Structure:
CAS RN: 39978-18-2
CAS Name: 2-thiophen-2-ylacetohydrazide
OPENEYE Name: 2-(2-thienyl)acetohydrazide
IUPAC Name: 2-thiophen-2-ylacetohydrazide
SYSTEMATIC NAME: 2-thiophen-2-ylethanehydrazide
MOLECULAR FORMULA: C6H8N2OS
MOLECULAR WEIGHT: 156.20552
SMILES: C1=CSC(=C1)CC(=O)NN
Structure:
CAS RN: 54-01-3
CAS Name: 4-[2-(8-quinolinyl)ethenyl]aniline
OPENEYE Name: 4-[2-(8-quinolyl)vinyl]aniline
IUPAC Name: 4-(2-quinolin-8-ylethenyl)aniline
SYSTEMATIC NAME: 4-(2-quinolin-8-ylethenyl)aniline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: C1=CC2=C(C(=C1)C=CC3=CC=C(C=C3)N)N=CC=C2
Structure:
CAS RN: 54-83-1
CAS Name: 4-[2-(7-quinolinyl)ethenyl]aniline
OPENEYE Name: 4-[2-(7-quinolyl)vinyl]aniline
IUPAC Name: 4-(2-quinolin-7-ylethenyl)aniline
SYSTEMATIC NAME: 4-(2-quinolin-7-ylethenyl)aniline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: C1=CC2=C(C=C(C=C2)C=CC3=CC=C(C=C3)N)N=C1
Structure:
CAS RN: 54-82-0
CAS Name: 4-[2-(6-quinolinyl)ethenyl]aniline
OPENEYE Name: 4-[2-(6-quinolyl)vinyl]aniline
IUPAC Name: 4-(2-quinolin-6-ylethenyl)aniline
SYSTEMATIC NAME: 4-(2-quinolin-6-ylethenyl)aniline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: C1=CC2=C(C=CC(=C2)C=CC3=CC=C(C=C3)N)N=C1
Structure:
CAS RN: 53-98-5
CAS Name: 4-[2-(4-quinolinyl)ethenyl]benzene-1,3-diamine
OPENEYE Name: 4-[2-(4-quinolyl)vinyl]benzene-1,3-diamine
IUPAC Name: 4-(2-quinolin-4-ylethenyl)benzene-1,3-diamine
SYSTEMATIC NAME: 4-(2-quinolin-4-ylethenyl)benzene-1,3-diamine
MOLECULAR FORMULA: C17H15N3
MOLECULAR WEIGHT: 261.3211
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=CC3=C(C=C(C=C3)N)N
Structure:
CAS RN: 53-97-4
CAS Name: 2-[2-(4-quinolinyl)ethenyl]aniline
OPENEYE Name: 2-[2-(4-quinolyl)vinyl]aniline
IUPAC Name: 2-(2-quinolin-4-ylethenyl)aniline
SYSTEMATIC NAME: 2-(2-quinolin-4-ylethenyl)aniline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: C1=CC=C(C(=C1)C=CC2=CC=NC3=CC=CC=C23)N
Structure:
CAS RN: 96790-41-9
CAS Name: (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1,9a,11a-trimethyl-3,3a,3b,4,5,5a,6,7,9,9b,10,11-dodecahydro-2H-indeno[4,5-h][2]benzopyran-1-ol
OPENEYE Name: (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1,9a,11a-trimethyl-3,3a,3b,4,5,5a,6,7,9,9b,10,11-dodecahydro-2H-indeno[4,5-h]isochromen-1-ol
IUPAC Name: (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1,9a,11a-trimethyl-3,3a,3b,4,5,5a,6,7,9,9b,10,11-dodecahydro-2H-indeno[4,5-h]isochromen-1-ol
SYSTEMATIC NAME: (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1,9a,11a-trimethyl-3,3a,3b,4,5,5a,6,7,9,9b,10,11-dodecahydro-2H-indeno[4,5-h]isochromen-1-ol
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COCC4)C
Structure:
CAS RN: 2242-98-0
CAS Name: (6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-6,11,17-tris(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O
Structure:
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