CAS RN: 79326-93-5
CAS Name: 3-[3-[[[bis(2-hydroxyethyl)amino]-oxomethyl]amino]-4-methylphenyl]-1,1-bis(2-hydroxyethyl)urea
OPENEYE Name: 3-[3-[bis(2-hydroxyethyl)carbamoylamino]-4-methyl-phenyl]-1,1-bis(2-hydroxyethyl)urea
IUPAC Name: 3-[3-[bis(2-hydroxyethyl)carbamoylamino]-4-methylphenyl]-1,1-bis(2-hydroxyethyl)urea
SYSTEMATIC NAME: 3-[3-[bis(2-hydroxyethyl)carbamoylamino]-4-methyl-phenyl]-1,1-bis(2-hydroxyethyl)urea
MOLECULAR FORMULA: C17H28N4O6
MOLECULAR WEIGHT: 384.42742
SMILES: CC1=C(C=C(C=C1)NC(=O)N(CCO)CCO)NC(=O)N(CCO)CCO
Structure:
CAS RN: 7224-09-1
CAS Name: 2-(1H-indol-3-ylmethyl)propanedioic acid
OPENEYE Name: 2-(1H-indol-3-ylmethyl)propanedioic acid
IUPAC Name: 2-(1H-indol-3-ylmethyl)propanedioic acid
SYSTEMATIC NAME: 2-(1H-indol-3-ylmethyl)propanedioic acid
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)C(=O)O
Structure:
CAS RN: 41288-13-5
CAS Name: (4-methylphenyl)-(1-pyrrolidinyl)diazene
OPENEYE Name: p-tolyl(pyrrolidin-1-yl)diazene
IUPAC Name: (4-methylphenyl)-pyrrolidin-1-yldiazene
SYSTEMATIC NAME: (4-methylphenyl)-pyrrolidin-1-yl-diazene
MOLECULAR FORMULA: C11H15N3
MOLECULAR WEIGHT: 189.2569
SMILES: CC1=CC=C(C=C1)N=NN2CCCC2
Structure:
CAS RN: 31077-70-0
CAS Name: (4-methylphenyl)-(4-methylphenyl)arsinylidenearsine
OPENEYE Name: p-tolyl(p-tolylarsanylidene)arsane
IUPAC Name: (4-methylphenyl)-(4-methylphenyl)arsanylidenearsane
SYSTEMATIC NAME: (4-methylphenyl)-(4-methylphenyl)arsanylidene-arsane
MOLECULAR FORMULA: C14H14As2
MOLECULAR WEIGHT: 332.10416
SMILES: CC1=CC=C(C=C1)[As]=[As]C2=CC=C(C=C2)C
Structure:
CAS RN: 5042-53-5
CAS Name: 1-(phenylthio)-2-propanone
OPENEYE Name: 1-phenylsulfanylpropan-2-one
IUPAC Name: 1-phenylsulfanylpropan-2-one
SYSTEMATIC NAME: 1-phenylsulfanylpropan-2-one
MOLECULAR FORMULA: C9H10OS
MOLECULAR WEIGHT: 166.2401
SMILES: CC(=O)CSC1=CC=CC=C1
Structure:
CAS RN: 37660-23-4
CAS Name: 2,3,5-triphenyl-1H-pyrrole
OPENEYE Name: 2,3,5-triphenyl-1H-pyrrole
IUPAC Name: 2,3,5-triphenyl-1H-pyrrole
SYSTEMATIC NAME: 2,3,5-triphenyl-1H-pyrrole
MOLECULAR FORMULA: C22H17N
MOLECULAR WEIGHT: 295.37708
SMILES: C1=CC=C(C=C1)C2=CC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 74665-38-6
CAS Name: 2-chloroacetic acid (5-nitro-2-furanyl)methyl ester
OPENEYE Name: (5-nitro-2-furyl)methyl 2-chloroacetate
IUPAC Name: (5-nitrofuran-2-yl)methyl 2-chloroacetate
SYSTEMATIC NAME: (5-nitrofuran-2-yl)methyl 2-chloranylethanoate
MOLECULAR FORMULA: C7H6ClNO5
MOLECULAR WEIGHT: 219.57924
SMILES: C1=C(OC(=C1)[N+](=O)[O-])COC(=O)CCl
Structure:
CAS RN: 74032-65-8
CAS Name: 1-(12-benzo[a]phenoxazinyl)-2-chloroethanone
OPENEYE Name: 1-benzo[a]phenoxazin-12-yl-2-chloro-ethanone
IUPAC Name: 1-benzo[a]phenoxazin-12-yl-2-chloroethanone
SYSTEMATIC NAME: 1-benzo[a]phenoxazin-12-yl-2-chloranyl-ethanone
MOLECULAR FORMULA: C18H12ClNO2
MOLECULAR WEIGHT: 309.74638
SMILES: C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4O3)C(=O)CCl
Structure:
CAS RN: 6630-61-1
CAS Name: 3-methyl-5-[2-(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinyl)propan-2-yl]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-methyl-5-[1-methyl-1-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-yl)ethyl]-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-methyl-5-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)propan-2-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-methyl-5-[2-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-yl)propan-2-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C11H14N2O2S4
MOLECULAR WEIGHT: 334.50106
SMILES: CC(C)(C1C(=O)N(C(=S)S1)C)C2C(=O)N(C(=S)S2)C
Structure:
CAS RN: 6630-60-0
CAS Name: 2-amino-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-thiazolone
OPENEYE Name: 2-amino-5-[2-(4-chlorophenyl)-2-oxo-ethyl]thiazol-4-one
IUPAC Name: 2-amino-5-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-azanyl-5-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,3-thiazol-4-one
MOLECULAR FORMULA: C11H9ClN2O2S
MOLECULAR WEIGHT: 268.71936
SMILES: C1=CC(=CC=C1C(=O)CC2C(=O)N=C(S2)N)Cl
Structure:
CAS RN: 6952-45-0
CAS Name: 5-(dimethoxymethyl)-5-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
OPENEYE Name: 5-(dimethoxymethyl)-5-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
IUPAC Name: 5-(dimethoxymethyl)-5-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(dimethoxymethyl)-5-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H20N2O5
MOLECULAR WEIGHT: 308.3297
SMILES: COC1=CC=C(C=C1)CCC2(C(=O)NC(=O)N2)C(OC)OC
Structure:
CAS RN: 6952-44-9
CAS Name: 5-(dimethoxymethyl)-5-(4-methoxyphenyl)-3-methylimidazolidine-2,4-dione
OPENEYE Name: 5-(dimethoxymethyl)-5-(4-methoxyphenyl)-3-methyl-imidazolidine-2,4-dione
IUPAC Name: 5-(dimethoxymethyl)-5-(4-methoxyphenyl)-3-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(dimethoxymethyl)-5-(4-methoxyphenyl)-3-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: CN1C(=O)C(NC1=O)(C2=CC=C(C=C2)OC)C(OC)OC
Structure:
CAS RN: 6630-55-3
CAS Name: 1-methyl-2,5-dioxo-4-(2-phenylethyl)-4-imidazolidinecarboxaldehyde
OPENEYE Name: 1-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidine-4-carbaldehyde
IUPAC Name: 1-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidine-4-carbaldehyde
SYSTEMATIC NAME: 1-methyl-2,5-bis(oxidanylidene)-4-(2-phenylethyl)imidazolidine-4-carbaldehyde
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CN1C(=O)C(NC1=O)(CCC2=CC=CC=C2)C=O
Structure:
CAS RN: 6952-40-5
CAS Name: 2,5-dioxo-4-phenyl-4-imidazolidinecarboxaldehyde
OPENEYE Name: 2,5-dioxo-4-phenyl-imidazolidine-4-carbaldehyde
IUPAC Name: 2,5-dioxo-4-phenylimidazolidine-4-carbaldehyde
SYSTEMATIC NAME: 2,5-bis(oxidanylidene)-4-phenyl-imidazolidine-4-carbaldehyde
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C=O
Structure:
CAS RN: 7502-07-0
CAS Name: (4aS,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
OPENEYE Name: (4aS,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
IUPAC Name: (4aS,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SYSTEMATIC NAME: (4aS,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CC1=CC[C@]2([C@H](C1)C(=O)C=C(C2=O)OC)C
Structure:
CAS RN: 75018-70-1
CAS Name: (4aR,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
OPENEYE Name: (4aR,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
IUPAC Name: (4aR,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SYSTEMATIC NAME: (4aR,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CC1=CC[C@]2([C@@H](C1)C(=O)C=C(C2=O)OC)C
Structure:
CAS RN: 51484-06-1
CAS Name: 1-chloro-2-[1-(4-chlorophenyl)ethenyl]benzene
OPENEYE Name: 1-chloro-2-[1-(4-chlorophenyl)vinyl]benzene
IUPAC Name: 1-chloro-2-[1-(4-chlorophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-chloranyl-2-[1-(4-chlorophenyl)ethenyl]benzene
MOLECULAR FORMULA: C14H10Cl2
MOLECULAR WEIGHT: 249.1352
SMILES: C=C(C1=CC=C(C=C1)Cl)C2=CC=CC=C2Cl
Structure:
CAS RN: 93898-41-0
CAS Name: N-(3-methylphenyl)-2,4,6-tris(methylthio)-5-pyrimidinamine
OPENEYE Name: 2,4,6-tris(methylsulfanyl)-N-(m-tolyl)pyrimidin-5-amine
IUPAC Name: N-(3-methylphenyl)-2,4,6-tris(methylsulfanyl)pyrimidin-5-amine
SYSTEMATIC NAME: N-(3-methylphenyl)-2,4,6-tris(methylsulfanyl)pyrimidin-5-amine
MOLECULAR FORMULA: C14H17N3S3
MOLECULAR WEIGHT: 323.49988
SMILES: CC1=CC(=CC=C1)NC2=C(N=C(N=C2SC)SC)SC
Structure:
CAS RN: 22536-66-9
CAS Name: 2-chloro-4-pyrimidinecarboxamide
OPENEYE Name: 2-chloropyrimidine-4-carboxamide
IUPAC Name: 2-chloropyrimidine-4-carboxamide
SYSTEMATIC NAME: 2-chloranylpyrimidine-4-carboxamide
MOLECULAR FORMULA: C5H4ClN3O
MOLECULAR WEIGHT: 157.55776
SMILES: C1=CN=C(N=C1C(=O)N)Cl
Structure:
CAS RN: 1201-56-5
CAS Name: (5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
OPENEYE Name: (5S,8R,9S,10S,13S,14S,17S)-17-acetoxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
IUPAC Name: (5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC(=CC4)C(=O)O)C)C
Structure:
CAS RN: 35758-43-1
CAS Name: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoro-11,14,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoro-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoro-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoranyl-10,13,16-trimethyl-11,14,17-tris(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO6
MOLECULAR WEIGHT: 410.476343
SMILES: C[C@@H]1C[C@]2([C@@H]3C[C@@H](C4=CC(=O)CC[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)F)O
Structure:
CAS RN: 3092-91-9
CAS Name: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoro-11,14,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoro-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoro-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8R,9S,10R,11S,13S,14R,16R,17R)-6-fluoranyl-10,13,16-trimethyl-11,14,17-tris(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO6
MOLECULAR WEIGHT: 410.476343
SMILES: C[C@@H]1C[C@]2([C@@H]3C[C@@H](C4=CC(=O)CC[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)F)O
Structure:
CAS RN: 5447-77-8
CAS Name: acetic acid [(3R,5R,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3R,5R,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3R,5R,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3R,5R,8S,9S,10S,13S,14S)-17-ethanoyl-10,13-dimethyl-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
Structure:
CAS RN: 4970-39-2
CAS Name: acetic acid [(3R,5R,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3R,5R,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3R,5R,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3R,5R,8S,9S,10S,13S,14S)-17-ethanoyl-10,13-dimethyl-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
Structure:
CAS RN: 2226-70-2
CAS Name: (8R,9S,10R,13S,14S,15S,17S)-15,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,15S,17S)-15,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,15S,17S)-15,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,15S,17S)-10,13-dimethyl-15,17-bis(oxidanyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O)O)C
Structure:
CAS RN: 1164-98-3
CAS Name: 2-hydroxy-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 2-hydroxy-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 2-hydroxy-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CC=C4[C@@]3(CC[C@@H](C4)O)C
Structure:
CAS RN: 13390-78-8
CAS Name: (3aR,3bS,5aS,6S,8aS,8bS)-6-[(1R)-1-hydroxyethyl]-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
OPENEYE Name: (3aR,3bS,5aS,6S,8aS,8bS)-6-[(1R)-1-hydroxyethyl]-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
IUPAC Name: (3aR,3bS,5aS,6S,8aS,8bS)-6-[(1R)-1-hydroxyethyl]-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
SYSTEMATIC NAME: (3aR,3bS,5aS,6S,8aS,8bS)-3a,5a-dimethyl-6-[(1R)-1-oxidanylethyl]-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C[C@]34C)C)O
Structure:
CAS RN: 94274-22-3
CAS Name: 1-[4-[4-[[[3-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-3-methylphenyl]-2-methylphenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
OPENEYE Name: 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-3-methyl-phenyl]-2-methyl-phenyl]urea
IUPAC Name: 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-3-methylphenyl]-2-methylphenyl]urea
SYSTEMATIC NAME: 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-3-methyl-phenyl]-2-methyl-phenyl]urea
MOLECULAR FORMULA: C34H34N8O2
MOLECULAR WEIGHT: 586.68616
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4)C)NC(=O)NC5=CC=CC(=C5)C6=NCCN6
Structure:
CAS RN: 7721-54-2
CAS Name: 4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
OPENEYE Name: 4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
IUPAC Name: 4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
SYSTEMATIC NAME: 4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC1=NNC(=O)C1CCO
Structure:
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