Thursday, August 15, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2,2-dibromo-2-phenyl-acetic acid
CAS Name: 2,2-dibromo-2-phenylacetic acid
IUPAC NAME: 2,2-dibromo-2-phenylacetic acid
SYSTEMATIC NAME: 2,2-bis(bromanyl)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C8H6Br2O2
MOLECULAR WEIGHT: 293.94004
SMILES: C1=CC=C(C=C1)C(C(=O)O)(Br)Br
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Product OPENEYE NAME: 2-bromo-3-ethyl-1,2-dihydropyridine
CAS Name: 2-bromo-3-ethyl-1,2-dihydropyridine
IUPAC NAME: 2-bromo-3-ethyl-1,2-dihydropyridine
SYSTEMATIC NAME: 2-bromanyl-3-ethyl-1,2-dihydropyridine
MOLECULAR FORMULA: C7H10BrN
MOLECULAR WEIGHT: 188.065
SMILES: CCC1=CC=CNC1Br
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Product OPENEYE NAME: N,N'-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-N,N'-bis(2,6-dibutyl-2,6-dimethyl-4-piperidyl)butane-1,4-diamine
CAS Name: N,N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N,N'-bis(2,6-dibutyl-2,6-dimethyl-4-piperidinyl)butane-1,4-diamine
IUPAC NAME: N,N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N,N'-bis(2,6-dibutyl-2,6-dimethylpiperidin-4-yl)butane-1,4-diamine
SYSTEMATIC NAME: N,N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N,N'-bis(2,6-dibutyl-2,6-dimethyl-piperidin-4-yl)butane-1,4-diamine
MOLECULAR FORMULA: C52H88N10O4
MOLECULAR WEIGHT: 917.31972
SMILES: CCCCC1(CC(CC(N1)(C)CCCC)N(CCCCN(C2CC(NC(C2)(C)CCCC)(C)CCCC)C3=NC(=NC(=N3)OCC=C)OCC=C)C4=NC(=NC(=N4)OCC=C)OCC=C)C
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Product OPENEYE NAME: N1,N4-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidyl)benzene-1,4-diamine
CAS Name: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidinyl)benzene-1,4-diamine
IUPAC NAME: 1-N,4-N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-1-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
SYSTEMATIC NAME: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
MOLECULAR FORMULA: C42H60N10O4
MOLECULAR WEIGHT: 768.9904
SMILES: CC1(CC(CC(N1)(C)C)N(C2=CC=C(C=C2)N(C3CC(NC(C3)(C)C)(C)C)C4=NC(=NC(=N4)OCC=C)OCC=C)C5=NC(=NC(=N5)OCC=C)OCC=C)C
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Product OPENEYE NAME: 4,6-diallyloxy-N-[1-[2-[2-[4-[(4,6-diallyloxy-1,3,5-triazin-2-yl)amino]-2,2,6,6-tetramethyl-1-piperidyl]ethylamino]ethyl]-2,2,6,6-tetramethyl-4-piperidyl]-1,3,5-triazin-2-amine
CAS Name: N-[1-[2-[2-[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethyl-1-piperidinyl]ethylamino]ethyl]-2,2,6,6-tetramethyl-4-piperidinyl]-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
IUPAC NAME: N-[1-[2-[2-[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethylamino]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl]-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-[1-[2-[2-[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethyl-piperidin-1-yl]ethylamino]ethyl]-2,2,6,6-tetramethyl-piperidin-4-yl]-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C40H65N11O4
MOLECULAR WEIGHT: 764.0154
SMILES: CC1(CC(CC(N1CCNCCN2C(CC(CC2(C)C)NC3=NC(=NC(=N3)OCC=C)OCC=C)(C)C)(C)C)NC4=NC(=NC(=N4)OCC=C)OCC=C)C
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Product OPENEYE NAME: N1,N4-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidyl)cyclohexane-1,4-diamine
CAS Name: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidinyl)cyclohexane-1,4-diamine
IUPAC NAME: 1-N,4-N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-1-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-diamine
SYSTEMATIC NAME: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-diamine
MOLECULAR FORMULA: C42H66N10O4
MOLECULAR WEIGHT: 775.03804
SMILES: CC1(CC(CC(N1)(C)C)N(C2CCC(CC2)N(C3CC(NC(C3)(C)C)(C)C)C4=NC(=NC(=N4)OCC=C)OCC=C)C5=NC(=NC(=N5)OCC=C)OCC=C)C
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Product OPENEYE NAME: 4,6-diallyloxy-N-[4-[[4-[(4,6-diallyloxy-1,3,5-triazin-2-yl)-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethyl-4-piperidyl)-1,3,5-triazin-2-amine
CAS Name: N-[4-[[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
IUPAC NAME: N-[4-[[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-[4-[[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C51H82N10O4
MOLECULAR WEIGHT: 899.26138
SMILES: CC1(CC(CC(N1C)(C)C)N(C2CCC(CC2)CC3CCC(CC3)N(C4CC(N(C(C4)(C)C)C)(C)C)C5=NC(=NC(=N5)OCC=C)OCC=C)C6=NC(=NC(=N6)OCC=C)OCC=C)C
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Product OPENEYE NAME: N,N-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
CAS Name: N,N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
IUPAC NAME: N,N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
SYSTEMATIC NAME: N,N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
MOLECULAR FORMULA: C31H45N9O4
MOLECULAR WEIGHT: 607.7469
SMILES: CC1(CC(C2CCNCCN1C2(C)C)N(C3=NC(=NC(=N3)OCC=C)OCC=C)C4=NC(=NC(=N4)OCC=C)OCC=C)C
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Product OPENEYE NAME: ethylene phosphite
CAS Name: ethene phosphite
IUPAC NAME: ethene phosphite
SYSTEMATIC NAME: ethene phosphite
MOLECULAR FORMULA: C6H12O3P-3
MOLECULAR WEIGHT: 163.131441
SMILES: C=C.C=C.C=C.[O-]P([O-])[O-]
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Product OPENEYE NAME: fumaric acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
IUPAC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
MOLECULAR FORMULA: C20H29N5O4S
MOLECULAR WEIGHT: 435.54036
SMILES: CN1CCN(CC1)C2=NC3=C(C(=N2)N4CCCC4)SCCC3.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: boric acid; 2-methylaniline
CAS Name: boric acid; 2-methylaniline
IUPAC NAME: boric acid; 2-methylaniline
SYSTEMATIC NAME: boric acid; 2-methylaniline
MOLECULAR FORMULA: C7H12BNO3
MOLECULAR WEIGHT: 168.98608
SMILES: B(O)(O)O.CC1=CC=CC=C1N
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Product OPENEYE NAME: fumaric acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CAS Name: (E)-2-butenedioic acid; 2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
IUPAC NAME: (E)-but-2-enedioic acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
MOLECULAR FORMULA: C19H27N5O4S
MOLECULAR WEIGHT: 421.51378
SMILES: C1CCN(C1)C2=NC(=NC3=C2SCCC3)N4CCNCC4.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 4-[2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine; fumaric acid
CAS Name: (E)-2-butenedioic acid; 4-[2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine
IUPAC NAME: 4-[2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[2-[4-(phenylmethyl)piperazin-1-yl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine
MOLECULAR FORMULA: C26H33N5O5S
MOLECULAR WEIGHT: 527.63572
SMILES: C1CC2=C(C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N5CCOCC5)SC1.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
CAS Name: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
IUPAC NAME: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
SYSTEMATIC NAME: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
MOLECULAR FORMULA: C10H11F3N2O
MOLECULAR WEIGHT: 232.20235
SMILES: CN(C1=CC=CC=C1)C(=O)N(C)C(F)(F)F
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Product OPENEYE NAME: 2-[phenyl(trifluoromethyl)carbamoyl]benzoic acid
CAS Name: 2-[oxo-[N-(trifluoromethyl)anilino]methyl]benzoic acid
IUPAC NAME: 2-[phenyl(trifluoromethyl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[phenyl(trifluoromethyl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C15H10F3NO3
MOLECULAR WEIGHT: 309.24001
SMILES: C1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
CAS Name: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
IUPAC NAME: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
SYSTEMATIC NAME: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
MOLECULAR FORMULA: C9H9F3N2O
MOLECULAR WEIGHT: 218.17577
SMILES: CN(C1=CC=CC=C1)C(=O)NC(F)(F)F
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Product OPENEYE NAME: N-[1-(butylcarbamoyl)benzimidazol-2-yl]-N-methyl-carbamate
CAS Name: N-[1-[butylamino(oxo)methyl]-2-benzimidazolyl]-N-methylcarbamate
IUPAC NAME: N-[1-(butylcarbamoyl)benzimidazol-2-yl]-N-methylcarbamate
SYSTEMATIC NAME: N-[1-(butylcarbamoyl)benzimidazol-2-yl]-N-methyl-carbamate
MOLECULAR FORMULA: C14H17N4O3-
MOLECULAR WEIGHT: 289.30978
SMILES: CCCCNC(=O)N1C2=CC=CC=C2N=C1N(C)C(=O)[O-]
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Product OPENEYE NAME: [1-(butylcarbamoyl)benzimidazol-2-yl]-methyl-carbamic acid
CAS Name: [1-[butylamino(oxo)methyl]-2-benzimidazolyl]-methylcarbamic acid
IUPAC NAME: [1-(butylcarbamoyl)benzimidazol-2-yl]-methylcarbamic acid
SYSTEMATIC NAME: [1-(butylcarbamoyl)benzimidazol-2-yl]-methyl-carbamic acid
MOLECULAR FORMULA: C14H18N4O3
MOLECULAR WEIGHT: 290.31772
SMILES: CCCCNC(=O)N1C2=CC=CC=C2N=C1N(C)C(=O)O
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Product OPENEYE NAME: 1-butyl-3-[2-(butylcarbamoylamino)phenyl]urea
CAS Name: 1-butyl-3-[2-[[butylamino(oxo)methyl]amino]phenyl]urea
IUPAC NAME: 1-butyl-3-[2-(butylcarbamoylamino)phenyl]urea
SYSTEMATIC NAME: 1-butyl-3-[2-(butylcarbamoylamino)phenyl]urea
MOLECULAR FORMULA: C16H26N4O2
MOLECULAR WEIGHT: 306.40324
SMILES: CCCCNC(=O)NC1=CC=CC=C1NC(=O)NCCCC
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Product OPENEYE NAME: N-phenylmorpholine-2-carboxamide
CAS Name: N-phenyl-2-morpholinecarboxamide
IUPAC NAME: N-phenylmorpholine-2-carboxamide
SYSTEMATIC NAME: N-phenylmorpholine-2-carboxamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C1COC(CN1)C(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 1-(4-chloro-2-nitro-phenyl)-3-cyclohexyl-urea
CAS Name: 1-(4-chloro-2-nitrophenyl)-3-cyclohexylurea
IUPAC NAME: 1-(4-chloro-2-nitrophenyl)-3-cyclohexylurea
SYSTEMATIC NAME: 1-(4-chloranyl-2-nitro-phenyl)-3-cyclohexyl-urea
MOLECULAR FORMULA: C13H16ClN3O3
MOLECULAR WEIGHT: 297.73744
SMILES: C1CCC(CC1)NC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: bromomethane; methanol
CAS Name: bromomethane; methanol
IUPAC NAME: bromomethane; methanol
SYSTEMATIC NAME: bromanylmethane; methanol
MOLECULAR FORMULA: C2H7BrO
MOLECULAR WEIGHT: 126.98038
SMILES: CO.CBr
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Product OPENEYE NAME: [2-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate
CAS Name: 2-methylpropanoic acid [2-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]phenyl] ester
IUPAC NAME: [2-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate
SYSTEMATIC NAME: [2-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate
MOLECULAR FORMULA: C18H19N5O3
MOLECULAR WEIGHT: 353.37516
SMILES: CC(C)C(=O)OC1=CC=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2
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