Product OPENEYE NAME: (3S,8S,9S,10R,13R,14S,17R)-17-(1,5-dimethylhex-4-enyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H44O
MOLECULAR WEIGHT: 384.63766
SMILES: CC(CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
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Product OPENEYE NAME: 17-[3-(dimethylamino)propyl-methyl-amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: 17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: 17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 17-[3-(dimethylamino)propyl-methyl-amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C25H44N2O
MOLECULAR WEIGHT: 388.62966
SMILES: CC12CCC3C(C1CCC2N(C)CCCN(C)C)CC=C4C3(CCC(C4)O)C
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Product OPENEYE NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
CAS Name: 3-cyclopentylpropanoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
MOLECULAR FORMULA: C26H36O3
MOLECULAR WEIGHT: 396.56224
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O
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Product OPENEYE NAME: 1,1-diisopropylguanidine; nitric acid
CAS Name: 1,1-di(propan-2-yl)guanidine; nitric acid
IUPAC NAME: 1,1-di(propan-2-yl)guanidine; nitric acid
SYSTEMATIC NAME: 1,1-di(propan-2-yl)guanidine; nitric acid
MOLECULAR FORMULA: C7H18N4O3
MOLECULAR WEIGHT: 206.24282
SMILES: CC(C)N(C(C)C)C(=N)N.[N+](=O)(O)[O-]
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Product OPENEYE NAME: 1,1-diisopropylguanidine
CAS Name: 1,1-di(propan-2-yl)guanidine
IUPAC NAME: 1,1-di(propan-2-yl)guanidine
SYSTEMATIC NAME: 1,1-di(propan-2-yl)guanidine
MOLECULAR FORMULA: C7H17N3
MOLECULAR WEIGHT: 143.22998
SMILES: CC(C)N(C(C)C)C(=N)N
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IUPAC NAME:
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MOLECULAR FORMULA: C32H18
MOLECULAR WEIGHT: 402.48532
SMILES: C1=CC=C2C=C3C=C4C=C5C6=CC=CC7=C6C8=C(C=CC=C8C5=CC4=CC3=CC2=C1)C=C7
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Product OPENEYE NAME: 1,12-dimethylbenzo[a]anthracene
CAS Name: 1,12-dimethylbenzo[a]anthracene
IUPAC NAME: 1,12-dimethylbenzo[a]anthracene
SYSTEMATIC NAME: 1,12-dimethylbenzo[a]anthracene
MOLECULAR FORMULA: C20H16
MOLECULAR WEIGHT: 256.34104
SMILES: CC1=CC=CC2=C1C3=C(C4=CC=CC=C4C=C3C=C2)C
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MOLECULAR FORMULA: C15H9N
MOLECULAR WEIGHT: 203.23866
SMILES: C1=CC2=C3C(=C1)C=CC4=NC=CC(=C43)C=C2
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MOLECULAR FORMULA: C17H18ClNO2
MOLECULAR WEIGHT: 303.78332
SMILES: CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.Cl
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Product OPENEYE NAME: 5-bromo-6-methyl-3-sec-butyl-1H-pyrimidine-2,4-dione
CAS Name: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
IUPAC NAME: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H13BrN2O2
MOLECULAR WEIGHT: 261.11572
SMILES: CCC(C)N1C(=O)C(=C(NC1=O)C)Br
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Product OPENEYE NAME: 5-bromo-3-isopropyl-6-methyl-1H-pyrimidine-2,4-dione
CAS Name: 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
IUPAC NAME: 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H11BrN2O2
MOLECULAR WEIGHT: 247.08914
SMILES: CC1=C(C(=O)N(C(=O)N1)C(C)C)Br
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Product OPENEYE NAME: 7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethyl-purine-2,6-dione
CAS Name: 7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione
IUPAC NAME: 7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[oxidanyl(phenyl)methyl]purine-2,6-dione
MOLECULAR FORMULA: C20H27N5O3
MOLECULAR WEIGHT: 385.46008
SMILES: CCN(CC)CCN1C2=C(N=C1C(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C
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Product OPENEYE NAME: [4-(dimethylamino)-3,5-dimethyl-phenyl] N-methylcarbamate
CAS Name: N-methylcarbamic acid [4-(dimethylamino)-3,5-dimethylphenyl] ester
IUPAC NAME: [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate
SYSTEMATIC NAME: [4-(dimethylamino)-3,5-dimethyl-phenyl] N-methylcarbamate
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC
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MOLECULAR FORMULA: C16H23NO6
MOLECULAR WEIGHT: 325.35692
SMILES: C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
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Product OPENEYE NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
CAS Name: heptanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
MOLECULAR FORMULA: C26H40O3
MOLECULAR WEIGHT: 400.594
SMILES: CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
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Product OPENEYE NAME: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
CAS Name: 2-[4-[3-(11-benzo[b][1]benzazepinyl)propyl]-1-piperazinyl]ethanol
IUPAC NAME: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
MOLECULAR FORMULA: C23H29N3O
MOLECULAR WEIGHT: 363.49586
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO
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Product OPENEYE NAME: dimethyl-[2-(11-methyl-6-oxo-benzo[b][1,4]benzodiazepin-5-yl)ethyl]ammonium chloride
CAS Name: dimethyl-[2-(11-methyl-6-oxo-5-benzo[b][1,4]benzodiazepinyl)ethyl]ammonium chloride
IUPAC NAME: dimethyl-[2-(11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-(11-methyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium chloride
MOLECULAR FORMULA: C18H22ClN3O
MOLECULAR WEIGHT: 331.83978
SMILES: CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CC[NH+](C)C.[Cl-]
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Product OPENEYE NAME: 5-[2-(dimethylamino)ethyl]-11-methyl-benzo[b][1,4]benzodiazepin-6-one
CAS Name: 5-[2-(dimethylamino)ethyl]-11-methyl-6-benzo[b][1,4]benzodiazepinone
IUPAC NAME: 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 5-[2-(dimethylamino)ethyl]-11-methyl-benzo[b][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C18H21N3O
MOLECULAR WEIGHT: 295.37884
SMILES: CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C
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Product OPENEYE NAME: N4-(2-chloro-7-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine; methanesulfonic acid
CAS Name: N4-(2-chloro-7-methoxy-9-acridinyl)-N1,N1-diethylpentane-1,4-diamine; methanesulfonic acid
IUPAC NAME: 4-N-(2-chloro-7-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine; methanesulfonic acid
SYSTEMATIC NAME: N4-(2-chloranyl-7-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine; methanesulfonic acid
MOLECULAR FORMULA: C25H38ClN3O7S2
MOLECULAR WEIGHT: 592.16812
SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)Cl.CS(=O)(=O)O.CS(=O)(=O)O
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Product OPENEYE NAME: N4-(2-chloro-7-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine
CAS Name: N4-(2-chloro-7-methoxy-9-acridinyl)-N1,N1-diethylpentane-1,4-diamine
IUPAC NAME: 4-N-(2-chloro-7-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
SYSTEMATIC NAME: N4-(2-chloranyl-7-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine
MOLECULAR FORMULA: C23H30ClN3O
MOLECULAR WEIGHT: 399.9568
SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)Cl
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