Product OPENEYE NAME: diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium chloride
CAS Name: diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium chloride
IUPAC NAME: diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium chloride
SYSTEMATIC NAME: diethyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium chloride
MOLECULAR FORMULA: C15H25ClN2O
MOLECULAR WEIGHT: 284.8248
SMILES: CC[NH+](CC)CC(=O)NC1=C(C=C(C=C1C)C)C.[Cl-]
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Product OPENEYE NAME: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium bromide
CAS Name: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylammonium bromide
IUPAC NAME: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C15H24BrNO3
MOLECULAR WEIGHT: 346.25996
SMILES: C[N+](C)(C)CC1(COC(OC1)C2=CC=CC=C2)CO.[Br-]
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Product OPENEYE NAME: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium
CAS Name: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylammonium
IUPAC NAME: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C15H24NO3+
MOLECULAR WEIGHT: 266.35596
SMILES: C[N+](C)(C)CC1(COC(OC1)C2=CC=CC=C2)CO
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Product OPENEYE NAME: 1-cyclohexyl-5-isobutyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1-cyclohexyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1-cyclohexyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-cyclohexyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 266.33608
SMILES: CC(C)CC1C(=O)NC(=O)N(C1=O)C2CCCCC2
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol
MOLECULAR FORMULA: C14H21NO4
MOLECULAR WEIGHT: 267.32084
SMILES: COCCCNCC(C1COC2=CC=CC=C2O1)O
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Product OPENEYE NAME: 4-methylbenzenesulfonic acid; 3-(2-sulfanylethylamino)propanamide
CAS Name: 3-(2-mercaptoethylamino)propanamide; 4-methylbenzenesulfonic acid
IUPAC NAME: 4-methylbenzenesulfonic acid; 3-(2-sulfanylethylamino)propanamide
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 3-(2-sulfanylethylamino)propanamide
MOLECULAR FORMULA: C12H20N2O4S2
MOLECULAR WEIGHT: 320.4282
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C(CNCCS)C(=O)N
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Product OPENEYE NAME: 3-(2-sulfanylethylamino)propanamide
CAS Name: 3-(2-mercaptoethylamino)propanamide
IUPAC NAME: 3-(2-sulfanylethylamino)propanamide
SYSTEMATIC NAME: 3-(2-sulfanylethylamino)propanamide
MOLECULAR FORMULA: C5H12N2OS
MOLECULAR WEIGHT: 148.22658
SMILES: C(CNCCS)C(=O)N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H6Cl6O4S
MOLECULAR WEIGHT: 422.92454
SMILES: C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium bromide
CAS Name: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylammonium bromide
IUPAC NAME: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C16H26BrNO3
MOLECULAR WEIGHT: 360.28654
SMILES: CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2.[Br-]
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Product OPENEYE NAME: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium
CAS Name: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylammonium
IUPAC NAME: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C16H26NO3+
MOLECULAR WEIGHT: 280.38254
SMILES: CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
CAS Name: 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
IUPAC NAME: 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C12H19N6OP
MOLECULAR WEIGHT: 294.292621
SMILES: CN(C)P(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)N(C)C
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Product OPENEYE NAME: 5-butyl-1-(4-hydroxycyclohexyl)hexahydropyrimidine-2,4,6-trione
CAS Name: 5-butyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-butyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-butyl-1-(4-oxidanylcyclohexyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H22N2O4
MOLECULAR WEIGHT: 282.33548
SMILES: CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
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Product OPENEYE NAME: [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C9H14N3O7P
MOLECULAR WEIGHT: 307.197121
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H2Cl10O
MOLECULAR WEIGHT: 492.65228
SMILES: C1(C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O
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Product OPENEYE NAME: 1-cycloheptyl-3-(p-tolylsulfonyl)urea
CAS Name: 1-cycloheptyl-3-(4-methylphenyl)sulfonylurea
IUPAC NAME: 1-cycloheptyl-3-(4-methylphenyl)sulfonylurea
SYSTEMATIC NAME: 1-cycloheptyl-3-(4-methylphenyl)sulfonyl-urea
MOLECULAR FORMULA: C15H22N2O3S
MOLECULAR WEIGHT: 310.41178
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCCC2
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Product OPENEYE NAME: (17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CAS Name: (17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
IUPAC NAME: (17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: CC12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC
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Product OPENEYE NAME: (2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
CAS Name: (2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
IUPAC NAME: (2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
SYSTEMATIC NAME: (2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC12CCC3C(C1CC[C@@H]2O)CCC4C3(C[C@](C4)(C#C)O)C
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Product OPENEYE NAME: (2R)-2-ethynyl-2-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-one
CAS Name: (2R)-2-ethynyl-2-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-one
IUPAC NAME: (2R)-2-ethynyl-2-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-one
SYSTEMATIC NAME: (2R)-2-ethynyl-3a,5a-dimethyl-2-oxidanyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-one
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: CC12CCC3C(C1CCC2=O)CCC4C3(C[C@](C4)(C#C)O)C
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Product OPENEYE NAME: 1-cyclooctyl-3-(p-tolylsulfonyl)urea
CAS Name: 1-cyclooctyl-3-(4-methylphenyl)sulfonylurea
IUPAC NAME: 1-cyclooctyl-3-(4-methylphenyl)sulfonylurea
SYSTEMATIC NAME: 1-cyclooctyl-3-(4-methylphenyl)sulfonyl-urea
MOLECULAR FORMULA: C16H24N2O3S
MOLECULAR WEIGHT: 324.43836
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCCCC2
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Product OPENEYE NAME: 1-cyclohexyl-5-methyl-3-phenyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1-cyclohexyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1-cyclohexyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-cyclohexyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C17H20N2O3
MOLECULAR WEIGHT: 300.3523
SMILES: CC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
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