Tuesday, March 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H31N2O3+
MOLECULAR WEIGHT: 311.43964
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H30N2O3
MOLECULAR WEIGHT: 310.4317
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-(thiophene-2-carbonylamino)thiourea
CAS Name: 1-[[(2R)-2-oxolanyl]methyl]-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
IUPAC NAME: 1-[[(2R)-oxolan-2-yl]methyl]-3-(thiophene-2-carbonylamino)thiourea
SYSTEMATIC NAME: 1-[[(2R)-oxolan-2-yl]methyl]-3-(thiophen-2-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C11H15N3O2S2
MOLECULAR WEIGHT: 285.3857
SMILES: C1C[C@@H](OC1)CNC(=S)NNC(=O)C2=CC=CS2
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H31N2O3+
MOLECULAR WEIGHT: 311.43964
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H30N2O3
MOLECULAR WEIGHT: 310.4317
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(2-chloroanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-chloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-chloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H14ClNO4
MOLECULAR WEIGHT: 343.76106
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: 1-cyclopropyl-3-(thiophene-2-carbonylamino)thiourea
CAS Name: 1-cyclopropyl-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
IUPAC NAME: 1-cyclopropyl-3-(thiophene-2-carbonylamino)thiourea
SYSTEMATIC NAME: 1-cyclopropyl-3-(thiophen-2-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C9H11N3OS2
MOLECULAR WEIGHT: 241.33314
SMILES: C1CC1NC(=S)NNC(=O)C2=CC=CS2
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H31N2O3+
MOLECULAR WEIGHT: 311.43964
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H30N2O3
MOLECULAR WEIGHT: 310.4317
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H31N2O3+
MOLECULAR WEIGHT: 311.43964
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H30N2O3
MOLECULAR WEIGHT: 310.4317
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-(thiophene-2-carbonylamino)thiourea
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-(thiophene-2-carbonylamino)thiourea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-(thiophen-2-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C14H15N3O2S2
MOLECULAR WEIGHT: 321.4178
SMILES: COC1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=CS2
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Product OPENEYE NAME: [2-(2-cyanoanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-cyanoanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H14N2O4
MOLECULAR WEIGHT: 334.32546
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: methyl 1-[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H27N4O5+
MOLECULAR WEIGHT: 367.42008
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC(CC2)C(=O)OC)N
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Product OPENEYE NAME: methyl 1-[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H26N4O5
MOLECULAR WEIGHT: 366.41214
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCC(CC2)C(=O)OC)N
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Product OPENEYE NAME: 3-[2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]oxazolidin-2-one
CAS Name: 3-[2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-oxazolidinone
IUPAC NAME: 3-[2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C19H14FN3O4S
MOLECULAR WEIGHT: 399.395563
SMILES: C1COC(=O)N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F
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Product OPENEYE NAME: methyl 1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H26N3O4+
MOLECULAR WEIGHT: 360.42744
SMILES: CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)C(=O)OC)C
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