Product OPENEYE NAME: 1,1,3-trimethyl-3-nitroso-urea
CAS Name: 1,1,3-trimethyl-3-nitrosourea
IUPAC NAME: 1,1,3-trimethyl-3-nitrosourea
SYSTEMATIC NAME: 1,1,3-trimethyl-3-nitroso-urea
MOLECULAR FORMULA: C4H9N3O2
MOLECULAR WEIGHT: 131.13316
SMILES: CN(C)C(=O)N(C)N=O
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Product OPENEYE NAME: [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
CAS Name: [[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
IUPAC NAME: [[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C12H19N4O10P3S
MOLECULAR WEIGHT: 504.286343
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)[O-]
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Product OPENEYE NAME: 1-[4-(dimethylamino)-3,5-dinitro-phenyl]pyrrole-2,5-dione
CAS Name: 1-[4-(dimethylamino)-3,5-dinitrophenyl]pyrrole-2,5-dione
IUPAC NAME: 1-[4-(dimethylamino)-3,5-dinitrophenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[4-(dimethylamino)-3,5-dinitro-phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C12H10N4O6
MOLECULAR WEIGHT: 306.231
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C=CC2=O)[N+](=O)[O-]
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Product OPENEYE NAME: (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CAS Name: (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
IUPAC NAME: (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
SYSTEMATIC NAME: (7S)-7-azanyl-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N
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Product OPENEYE NAME: 1-methylquinazolin-4-one
CAS Name: 1-methyl-4-quinazolinone
IUPAC NAME: 1-methylquinazolin-4-one
SYSTEMATIC NAME: 1-methylquinazolin-4-one
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CN1C=NC(=O)C2=CC=CC=C21
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Product OPENEYE NAME: chloro-[3-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-methoxy-propyl]mercury
CAS Name: chloro-[3-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-methoxypropyl]mercury
IUPAC NAME: chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury
SYSTEMATIC NAME: chloranyl-[3-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-methoxy-propyl]mercury
MOLECULAR FORMULA: C9H15ClHgN2O3
MOLECULAR WEIGHT: 435.27
SMILES: CC1(C(=O)N(C(=O)N1)CC(C[Hg]Cl)OC)C
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Product OPENEYE NAME: 2-(3-hexoxy-2-hydroxy-propoxy)benzoic acid
CAS Name: 2-(3-hexoxy-2-hydroxypropoxy)benzoic acid
IUPAC NAME: 2-(3-hexoxy-2-hydroxypropoxy)benzoic acid
SYSTEMATIC NAME: 2-(3-hexoxy-2-oxidanyl-propoxy)benzoic acid
MOLECULAR FORMULA: C16H24O5
MOLECULAR WEIGHT: 296.35876
SMILES: CCCCCCOCC(COC1=CC=CC=C1C(=O)O)O
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Product OPENEYE NAME: 3-(2-methyl-1-piperidyl)propyl 3,4-dichlorobenzoate
CAS Name: 3,4-dichlorobenzoic acid 3-(2-methyl-1-piperidinyl)propyl ester
IUPAC NAME: 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate
SYSTEMATIC NAME: 3-(2-methylpiperidin-1-yl)propyl 3,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C16H21Cl2NO2
MOLECULAR WEIGHT: 330.24944
SMILES: CC1CCCCN1CCCOC(=O)C2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 2-chloroisoindoline-1,3-dione
CAS Name: 2-chloroisoindole-1,3-dione
IUPAC NAME: 2-chloroisoindole-1,3-dione
SYSTEMATIC NAME: 2-chloranylisoindole-1,3-dione
MOLECULAR FORMULA: C8H4ClNO2
MOLECULAR WEIGHT: 181.57586
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)Cl
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Product OPENEYE NAME: 2,3,5,6-tetrachloroaniline
CAS Name: 2,3,5,6-tetrachloroaniline
IUPAC NAME: 2,3,5,6-tetrachloroaniline
SYSTEMATIC NAME: 2,3,5,6-tetrakis(chloranyl)aniline
MOLECULAR FORMULA: C6H3Cl4N
MOLECULAR WEIGHT: 230.90672
SMILES: C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl
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Product OPENEYE NAME: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CAS Name: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
IUPAC NAME: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
SYSTEMATIC NAME: 7-azanyl-1,2,3-trimethoxy-10-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)N)OC)OC
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Product OPENEYE NAME: (3R,5S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CAS Name: (3R,5S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
IUPAC NAME: (3R,5S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (3R,5S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: C[C@@]1(CCC2C1(CCC3C2CC[C@@H]4C3(CC[C@H](C4)OC)C)C)O
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Product OPENEYE NAME: 1,4-bis(sulfanyl)butane-2,3-diol
CAS Name: 1,4-dimercaptobutane-2,3-diol
IUPAC NAME: 1,4-bis(sulfanyl)butane-2,3-diol
SYSTEMATIC NAME: 1,4-bis(sulfanyl)butane-2,3-diol
MOLECULAR FORMULA: C4H10O2S2
MOLECULAR WEIGHT: 154.251
SMILES: C(C(C(CS)O)O)S
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Product OPENEYE NAME: methyl 4-[2-(diethylamino)ethoxy]benzoate
CAS Name: 4-[2-(diethylamino)ethoxy]benzoic acid methyl ester
IUPAC NAME: methyl 4-[2-(diethylamino)ethoxy]benzoate
SYSTEMATIC NAME: methyl 4-[2-(diethylamino)ethoxy]benzoate
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=O)OC
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Product OPENEYE NAME: (2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R,6R)-6-[[(1-aminocyclohexyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[(1-azanylcyclohexyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C15H23N3O4S
MOLECULAR WEIGHT: 341.42582
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCCC3)N)C(=O)O)C
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Product OPENEYE NAME: (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide
CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide
IUPAC NAME: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
SYSTEMATIC NAME: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide
MOLECULAR FORMULA: C22H26BrNO3
MOLECULAR WEIGHT: 432.35074
SMILES: C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]
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Product OPENEYE NAME: zinc carbonate
CAS Name: zinc carbonate
IUPAC NAME: zinc carbonate
SYSTEMATIC NAME: zinc carbonate
MOLECULAR FORMULA: CO3Zn
MOLECULAR WEIGHT: 125.4179
SMILES: C(=O)([O-])[O-].[Zn+2]
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Product OPENEYE NAME: 2-(2-cyclohexyl-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium iodide
CAS Name: 2-(2-cyclohexyl-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium iodide
IUPAC NAME: 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide
SYSTEMATIC NAME: 2-(2-cyclohexyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium iodide
MOLECULAR FORMULA: C21H34INO2
MOLECULAR WEIGHT: 459.40463
SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2.[I-]
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Product OPENEYE NAME: 2-(2-cyclohexyl-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium
CAS Name: 2-(2-cyclohexyl-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium
IUPAC NAME: 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium
SYSTEMATIC NAME: 2-(2-cyclohexyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium
MOLECULAR FORMULA: C21H34NO2+
MOLECULAR WEIGHT: 332.50016
SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium iodide
CAS Name: 2-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium iodide
IUPAC NAME: 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide
SYSTEMATIC NAME: 2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium iodide
MOLECULAR FORMULA: C21H34INO3
MOLECULAR WEIGHT: 475.40403
SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-]
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Product OPENEYE NAME: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
CAS Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
IUPAC NAME: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
SYSTEMATIC NAME: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
MOLECULAR FORMULA: C21H22NO4+
MOLECULAR WEIGHT: 352.40368
SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
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