Wednesday, July 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (1Z)-2-amino-3-ethylsulfanyl-N-(1H-pyrrol-2-yl)propanimidate
CAS Name: (1Z)-2-amino-3-(ethylthio)-N-(1H-pyrrol-2-yl)propanimidate
IUPAC NAME: (1Z)-2-amino-3-ethylsulfanyl-N-(1H-pyrrol-2-yl)propanimidate
SYSTEMATIC NAME: (1Z)-2-azanyl-3-ethylsulfanyl-N-(1H-pyrrol-2-yl)propanimidate
MOLECULAR FORMULA: C9H14N3OS-
MOLECULAR WEIGHT: 212.29196
SMILES: CCSCC(/C(=N/C1=CC=CN1)/[O-])N
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Product OPENEYE NAME: N-[1-(ethylsulfanylmethyl)-2-oxo-2-thiazolidin-3-yl-ethyl]acetamide
CAS Name: N-[3-(ethylthio)-1-oxo-1-(3-thiazolidinyl)propan-2-yl]acetamide
IUPAC NAME: N-[3-ethylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
SYSTEMATIC NAME: N-[3-ethylsulfanyl-1-oxidanylidene-1-(1,3-thiazolidin-3-yl)propan-2-yl]ethanamide
MOLECULAR FORMULA: C10H18N2O2S2
MOLECULAR WEIGHT: 262.39212
SMILES: CCSCC(C(=O)N1CCSC1)NC(=O)C
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Product OPENEYE NAME: 2-amino-3-ethylsulfanyl-N,N-dimethyl-propanamide
CAS Name: 2-amino-3-(ethylthio)-N,N-dimethylpropanamide
IUPAC NAME: 2-amino-3-ethylsulfanyl-N,N-dimethylpropanamide
SYSTEMATIC NAME: 2-azanyl-3-ethylsulfanyl-N,N-dimethyl-propanamide
MOLECULAR FORMULA: C7H16N2OS
MOLECULAR WEIGHT: 176.27974
SMILES: CCSCC(C(=O)N(C)C)N
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Product OPENEYE NAME: 2-amino-N-butyl-3-sulfanyl-propanamide; 2-amino-N-hexyl-3-sulfanyl-propanamide
CAS Name: 2-amino-N-butyl-3-mercaptopropanamide; 2-amino-N-hexyl-3-mercaptopropanamide
IUPAC NAME: 2-amino-N-butyl-3-sulfanylpropanamide; 2-amino-N-hexyl-3-sulfanylpropanamide
SYSTEMATIC NAME: 2-azanyl-N-butyl-3-sulfanyl-propanamide; 2-azanyl-N-hexyl-3-sulfanyl-propanamide
MOLECULAR FORMULA: C16H36N4O2S2
MOLECULAR WEIGHT: 380.61264
SMILES: CCCCCCNC(=O)C(CS)N.CCCCNC(=O)C(CS)N
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Product OPENEYE NAME: 2-amino-N-butyl-3-sulfanyl-propanamide
CAS Name: 2-amino-N-butyl-3-mercaptopropanamide
IUPAC NAME: 2-amino-N-butyl-3-sulfanylpropanamide
SYSTEMATIC NAME: 2-azanyl-N-butyl-3-sulfanyl-propanamide
MOLECULAR FORMULA: C7H16N2OS
MOLECULAR WEIGHT: 176.27974
SMILES: CCCCNC(=O)C(CS)N
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Product OPENEYE NAME: 2-amino-N-hexyl-3-sulfanyl-propanamide
CAS Name: 2-amino-N-hexyl-3-mercaptopropanamide
IUPAC NAME: 2-amino-N-hexyl-3-sulfanylpropanamide
SYSTEMATIC NAME: 2-azanyl-N-hexyl-3-sulfanyl-propanamide
MOLECULAR FORMULA: C9H20N2OS
MOLECULAR WEIGHT: 204.3329
SMILES: CCCCCCNC(=O)C(CS)N
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Product OPENEYE NAME: 2-amino-3-ethylsulfanyl-N-(1-piperidyl)propanamide hydrochloride
CAS Name: 2-amino-3-(ethylthio)-N-(1-piperidinyl)propanamide hydrochloride
IUPAC NAME: 2-amino-3-ethylsulfanyl-N-piperidin-1-ylpropanamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-3-ethylsulfanyl-N-piperidin-1-yl-propanamide hydrochloride
MOLECULAR FORMULA: C10H22ClN3OS
MOLECULAR WEIGHT: 267.81918
SMILES: CCSCC(C(=O)NN1CCCCC1)N.Cl
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Product OPENEYE NAME: 2-amino-3-ethylsulfanyl-N-(1-piperidyl)propanamide
CAS Name: 2-amino-3-(ethylthio)-N-(1-piperidinyl)propanamide
IUPAC NAME: 2-amino-3-ethylsulfanyl-N-piperidin-1-ylpropanamide
SYSTEMATIC NAME: 2-azanyl-3-ethylsulfanyl-N-piperidin-1-yl-propanamide
MOLECULAR FORMULA: C10H21N3OS
MOLECULAR WEIGHT: 231.35824
SMILES: CCSCC(C(=O)NN1CCCCC1)N
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Product OPENEYE NAME: carbamoyl-[3-[carbamoyl(dimethyl)ammonio]-2-methyl-phenyl]-dimethyl-ammonium
CAS Name: carbamoyl-[3-[carbamoyl(dimethyl)ammonio]-2-methylphenyl]-dimethylammonium
IUPAC NAME: carbamoyl-[3-[carbamoyl(dimethyl)azaniumyl]-2-methylphenyl]-dimethylazanium
SYSTEMATIC NAME: aminocarbonyl-[3-[aminocarbonyl(dimethyl)azaniumyl]-2-methyl-phenyl]-dimethyl-azanium
MOLECULAR FORMULA: C13H22N4O2+2
MOLECULAR WEIGHT: 266.33938
SMILES: CC1=C(C=CC=C1[N+](C)(C)C(=O)N)[N+](C)(C)C(=O)N
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Product OPENEYE NAME: 1,1-bis(oxiran-2-ylmethyl)imidazolidin-1-ium-2,4-dione
CAS Name: 1,1-bis(2-oxiranylmethyl)imidazolidin-1-ium-2,4-dione
IUPAC NAME: 1,1-bis(oxiran-2-ylmethyl)imidazolidin-1-ium-2,4-dione
SYSTEMATIC NAME: 1,1-bis(oxiran-2-ylmethyl)imidazolidin-1-ium-2,4-dione
MOLECULAR FORMULA: C9H13N2O4+
MOLECULAR WEIGHT: 213.21052
SMILES: C1C(O1)C[N+]2(CC(=O)NC2=O)CC3CO3
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Product OPENEYE NAME: carbamoyl-[2-[carbamoyl(dimethyl)ammonio]-3-methyl-phenyl]-dimethyl-ammonium
CAS Name: carbamoyl-[2-[carbamoyl(dimethyl)ammonio]-3-methylphenyl]-dimethylammonium
IUPAC NAME: carbamoyl-[2-[carbamoyl(dimethyl)azaniumyl]-3-methylphenyl]-dimethylazanium
SYSTEMATIC NAME: aminocarbonyl-[2-[aminocarbonyl(dimethyl)azaniumyl]-3-methyl-phenyl]-dimethyl-azanium
MOLECULAR FORMULA: C13H22N4O2+2
MOLECULAR WEIGHT: 266.33938
SMILES: CC1=C(C(=CC=C1)[N+](C)(C)C(=O)N)[N+](C)(C)C(=O)N
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Product OPENEYE NAME: 4,4-bis(oxiran-2-ylmethyl)-2-aza-4-azoniaspiro[4.5]decane-1,3-dione
CAS Name: 4,4-bis(2-oxiranylmethyl)-2-aza-4-azoniaspiro[4.5]decane-1,3-dione
IUPAC NAME: 4,4-bis(oxiran-2-ylmethyl)-2-aza-4-azoniaspiro[4.5]decane-1,3-dione
SYSTEMATIC NAME: 4,4-bis(oxiran-2-ylmethyl)-2-aza-4-azoniaspiro[4.5]decane-1,3-dione
MOLECULAR FORMULA: C14H21N2O4+
MOLECULAR WEIGHT: 281.32754
SMILES: C1CCC2(CC1)C(=O)NC(=O)[N+]2(CC3CO3)CC4CO4
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Product OPENEYE NAME: 5-(2-ethylhexyl)-5-methyl-imidazolidine-2,4-dione
CAS Name: 5-(2-ethylhexyl)-5-methylimidazolidine-2,4-dione
IUPAC NAME: 5-(2-ethylhexyl)-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(2-ethylhexyl)-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CCCCC(CC)CC1(C(=O)NC(=O)N1)C
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Product OPENEYE NAME: 4-amino-1-decoxy-1,4-dioxo-butane-2-sulfonic acid
CAS Name: 4-amino-1-decoxy-1,4-dioxo-2-butanesulfonic acid
IUPAC NAME: 4-amino-1-decoxy-1,4-dioxobutane-2-sulfonic acid
SYSTEMATIC NAME: 4-azanyl-1-decoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid
MOLECULAR FORMULA: C14H27NO6S
MOLECULAR WEIGHT: 337.43228
SMILES: CCCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)O
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Product OPENEYE NAME: aluminum ferric lithium disulfide
CAS Name: aluminum lithium iron(3+) disulfide
IUPAC NAME: aluminum lithium iron(3+) disulfide
SYSTEMATIC NAME: aluminum lithium iron(3+) disulfide
MOLECULAR FORMULA: AlFeLiS2+3
MOLECULAR WEIGHT: 153.897538
SMILES: [Li+].[Al+3].[S-2].[S-2].[Fe+3]
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Product OPENEYE NAME: 2-chloro-5-(4-chlorophenoxy)-4-methyl-aniline; nitridoammonium
CAS Name: 2-chloro-5-(4-chlorophenoxy)-4-methylaniline; nitriloammonium
IUPAC NAME: azanylidyneazanium; 2-chloro-5-(4-chlorophenoxy)-4-methylaniline
SYSTEMATIC NAME: azanylidyneazanium; 2-chloranyl-5-(4-chloranylphenoxy)-4-methyl-aniline
MOLECULAR FORMULA: C13H12Cl2N3O+
MOLECULAR WEIGHT: 297.15988
SMILES: CC1=CC(=C(C=C1OC2=CC=C(C=C2)Cl)N)Cl.[NH+]#N
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Product OPENEYE NAME: 2-chloro-5-(4-chlorophenoxy)-4-methyl-aniline
CAS Name: 2-chloro-5-(4-chlorophenoxy)-4-methylaniline
IUPAC NAME: 2-chloro-5-(4-chlorophenoxy)-4-methylaniline
SYSTEMATIC NAME: 2-chloranyl-5-(4-chloranylphenoxy)-4-methyl-aniline
MOLECULAR FORMULA: C13H11Cl2NO
MOLECULAR WEIGHT: 268.13854
SMILES: CC1=CC(=C(C=C1OC2=CC=C(C=C2)Cl)N)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CC(=C)C(=O)OCCN1C(=O)C2C3CC(C2C1=O)(C=C3)C
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Product OPENEYE NAME: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid [2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propyl] ester
IUPAC NAME: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
SYSTEMATIC NAME: [3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC(=C)C(=O)OCC(COC(=O)C1CC2CC1C=C2)O
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Product OPENEYE NAME: 4-methyl-3-(2-prop-2-enoyloxyethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Name: 4-methyl-3-[oxo-[2-(1-oxoprop-2-enoxy)ethoxy]methyl]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid
IUPAC NAME: 4-methyl-3-(2-prop-2-enoyloxyethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SYSTEMATIC NAME: 4-methyl-3-(2-prop-2-enoyloxyethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: CC12CC(C=C1)C(C2C(=O)OCCOC(=O)C=C)C(=O)O
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Product OPENEYE NAME: O3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] O2-methyl 4-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CAS Name: 4-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid O3-[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propyl] ester O2-methyl ester
IUPAC NAME: 3-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-O-methyl 4-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SYSTEMATIC NAME: O2-methyl O3-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propyl] 4-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
MOLECULAR FORMULA: C18H24O7
MOLECULAR WEIGHT: 352.37896
SMILES: CC(=C)C(=O)OCC(COC(=O)C1C(C2CC1(C=C2)C)C(=O)OC)O
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