Monday, May 28, 2012

http://ChemLookup.com Compounds




CAS RN: 6124-13-6
CAS Name: 3-methyl-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: ethyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C10H10N2O3S
MOLECULAR WEIGHT: 238.263
SMILES: CCOC(=O)C1=CN=C2N(C1=O)C(=CS2)C
Structure:

CAS RN: 39080-35-8
CAS Name: 3,5-bis(4-methylphenyl)-1,2,4-triazol-4-amine
OPENEYE Name: 3,5-bis(p-tolyl)-1,2,4-triazol-4-amine
IUPAC Name: 3,5-bis(4-methylphenyl)-1,2,4-triazol-4-amine
SYSTEMATIC NAME: 3,5-bis(4-methylphenyl)-1,2,4-triazol-4-amine
MOLECULAR FORMULA: C16H16N4
MOLECULAR WEIGHT: 264.32504
SMILES: CC1=CC=C(C=C1)C2=NN=C(N2N)C3=CC=C(C=C3)C
Structure:

CAS RN: 60443-87-0
CAS Name: 3,5-bis(phenylmethyl)-1H-1,2,4-triazole
OPENEYE Name: 3,5-dibenzyl-1H-1,2,4-triazole
IUPAC Name: 3,5-dibenzyl-1H-1,2,4-triazole
SYSTEMATIC NAME: 3,5-bis(phenylmethyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: C1=CC=C(C=C1)CC2=NC(=NN2)CC3=CC=CC=C3
Structure:

CAS RN: 4294-95-5
CAS Name: 2-amino-4-methoxybenzoic acid
OPENEYE Name: 2-amino-4-methoxy-benzoic acid
IUPAC Name: 2-amino-4-methoxybenzoic acid
SYSTEMATIC NAME: 2-azanyl-4-methoxy-benzoic acid
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: COC1=CC(=C(C=C1)C(=O)O)N
Structure:

CAS RN: 1170-38-3
CAS Name: 2-[(2-carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid
OPENEYE Name: 2-[(2-carboxy-4-nitro-phenyl)disulfanyl]-5-nitro-benzoic acid
IUPAC Name: 2-[(2-carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-[(2-carboxy-4-nitro-phenyl)disulfanyl]-5-nitro-benzoic acid
MOLECULAR FORMULA: C14H8N2O8S2
MOLECULAR WEIGHT: 396.35192
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)SSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
Structure:

CAS RN: 1555-31-3
CAS Name: 2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
OPENEYE Name: 2-[4-(trifluoromethyl)phenyl]isoindoline-1,3-dione
IUPAC Name: 2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
MOLECULAR FORMULA: C15H8F3NO2
MOLECULAR WEIGHT: 291.22473
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(F)(F)F
Structure:

CAS RN: 38023-75-5
CAS Name: 5,6-dichloroacenaphthylene-1,2-dione
OPENEYE Name: 5,6-dichloroacenaphthylene-1,2-dione
IUPAC Name: 5,6-dichloroacenaphthylene-1,2-dione
SYSTEMATIC NAME: 5,6-bis(chloranyl)acenaphthylene-1,2-dione
MOLECULAR FORMULA: C12H4Cl2O2
MOLECULAR WEIGHT: 251.06496
SMILES: C1=CC(=C2C(=CC=C3C2=C1C(=O)C3=O)Cl)Cl
Structure:

CAS RN: 7614-86-0
CAS Name: 3-chloro-N-[[(3-chloro-1-oxopropyl)amino]methyl]propanamide
OPENEYE Name: 3-chloro-N-[(3-chloropropanoylamino)methyl]propanamide
IUPAC Name: 3-chloro-N-[(3-chloropropanoylamino)methyl]propanamide
SYSTEMATIC NAME: 3-chloranyl-N-[(3-chloranylpropanoylamino)methyl]propanamide
MOLECULAR FORMULA: C7H12Cl2N2O2
MOLECULAR WEIGHT: 227.08838
SMILES: C(CCl)C(=O)NCNC(=O)CCCl
Structure:

CAS RN: 53608-90-5
CAS Name: 6-amino-1-heptyl-2-oxo-5-pyrimidinecarbonitrile
OPENEYE Name: 6-amino-1-heptyl-2-oxo-pyrimidine-5-carbonitrile
IUPAC Name: 6-amino-1-heptyl-2-oxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-1-heptyl-2-oxidanylidene-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H18N4O
MOLECULAR WEIGHT: 234.29752
SMILES: CCCCCCCN1C(=C(C=NC1=O)C#N)N
Structure:

CAS RN: 73644-76-5
CAS Name: 5-oxo-3-phenyl-6-thiazolo[3,2-a]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-oxo-3-phenyl-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: ethyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 5-oxidanylidene-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C15H12N2O3S
MOLECULAR WEIGHT: 300.33238
SMILES: CCOC(=O)C1=CN=C2N(C1=O)C(=CS2)C3=CC=CC=C3
Structure:

CAS RN: 18986-03-3
CAS Name: thiocyanic acid (4-isothiocyanato-3-methylphenyl) ester
OPENEYE Name: (4-isothiocyanato-3-methyl-phenyl) thiocyanate
IUPAC Name: (4-isothiocyanato-3-methylphenyl) thiocyanate
SYSTEMATIC NAME: (4-isothiocyanato-3-methyl-phenyl) thiocyanate
MOLECULAR FORMULA: C9H6N2S2
MOLECULAR WEIGHT: 206.28734
SMILES: CC1=C(C=CC(=C1)SC#N)N=C=S
Structure:

CAS RN: 19545-93-8
CAS Name: 2-(4-chloro-2,3-dimethylphenoxy)acetic acid
OPENEYE Name: 2-(4-chloro-2,3-dimethyl-phenoxy)acetic acid
IUPAC Name: 2-(4-chloro-2,3-dimethylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-2,3-dimethyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: CC1=C(C=CC(=C1C)Cl)OCC(=O)O
Structure:

CAS RN: 6132-47-4
CAS Name: carbonic acid (2,4-dinitrophenyl) ethyl ester
OPENEYE Name: (2,4-dinitrophenyl) ethyl carbonate
IUPAC Name: (2,4-dinitrophenyl) ethyl carbonate
SYSTEMATIC NAME: (2,4-dinitrophenyl) ethyl carbonate
MOLECULAR FORMULA: C9H8N2O7
MOLECULAR WEIGHT: 256.16902
SMILES: CCOC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 6099-87-2
CAS Name: carbonic acid (2,4-dinitrophenyl) methyl ester
OPENEYE Name: (2,4-dinitrophenyl) methyl carbonate
IUPAC Name: (2,4-dinitrophenyl) methyl carbonate
SYSTEMATIC NAME: (2,4-dinitrophenyl) methyl carbonate
MOLECULAR FORMULA: C8H6N2O7
MOLECULAR WEIGHT: 242.14244
SMILES: COC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 83329-13-9
CAS Name: 2-[(4-amino-2-methyl-5-pyrimidinyl)methylthio]acetic acid
OPENEYE Name: 2-[(4-amino-2-methyl-pyrimidin-5-yl)methylsulfanyl]acetic acid
IUPAC Name: 2-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C8H11N3O2S
MOLECULAR WEIGHT: 213.25684
SMILES: CC1=NC=C(C(=N1)N)CSCC(=O)O
Structure:

CAS RN: 20686-91-3
CAS Name: propane-1,3-disulfonyl chloride
OPENEYE Name: propane-1,3-disulfonyl chloride
IUPAC Name: propane-1,3-disulfonyl chloride
SYSTEMATIC NAME: propane-1,3-disulfonyl chloride
MOLECULAR FORMULA: C3H6Cl2O4S2
MOLECULAR WEIGHT: 241.11334
SMILES: C(CS(=O)(=O)Cl)CS(=O)(=O)Cl
Structure:

CAS RN: 23597-15-1
CAS Name: 3,5-diiodo-2-pyridinamine
OPENEYE Name: 3,5-diiodopyridin-2-amine
IUPAC Name: 3,5-diiodopyridin-2-amine
SYSTEMATIC NAME: 3,5-bis(iodanyl)pyridin-2-amine
MOLECULAR FORMULA: C5H4I2N2
MOLECULAR WEIGHT: 345.9076
SMILES: C1=C(C=NC(=C1I)N)I
Structure:

CAS RN: 52940-48-4
CAS Name: 2-(hydroxymethyl)-5-[6-(4-morpholinyl)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(6-morpholinopurin-9-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(6-morpholin-4-ylpurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(6-morpholin-4-ylpurin-9-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: C1COCCN1C2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
Structure:

CAS RN: 2800-11-5
CAS Name: N-[2-(4-amino-N-ethylanilino)ethyl]methanesulfonamide
OPENEYE Name: N-[2-(4-amino-N-ethyl-anilino)ethyl]methanesulfonamide
IUPAC Name: N-[2-(4-amino-N-ethylanilino)ethyl]methanesulfonamide
SYSTEMATIC NAME: N-[2-[(4-aminophenyl)-ethyl-amino]ethyl]methanesulfonamide
MOLECULAR FORMULA: C11H19N3O2S
MOLECULAR WEIGHT: 257.35246
SMILES: CCN(CCNS(=O)(=O)C)C1=CC=C(C=C1)N
Structure:

CAS RN: 73164-53-1
CAS Name: 2-methyl-4-(1-piperidinyl)aniline; sulfuric acid
OPENEYE Name: 2-methyl-4-(1-piperidyl)aniline; sulfuric acid
IUPAC Name: 2-methyl-4-piperidin-1-ylaniline; sulfuric acid
SYSTEMATIC NAME: 2-methyl-4-piperidin-1-yl-aniline; sulfuric acid
MOLECULAR FORMULA: C12H20N2O4S
MOLECULAR WEIGHT: 288.3632
SMILES: CC1=C(C=CC(=C1)N2CCCCC2)N.OS(=O)(=O)O
Structure:

CAS RN: 2442-80-0
CAS Name: 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid
OPENEYE Name: 2-(4-amino-N-ethyl-3-methyl-anilino)ethanesulfonic acid
IUPAC Name: 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid
SYSTEMATIC NAME: 2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethanesulfonic acid
MOLECULAR FORMULA: C11H18N2O3S
MOLECULAR WEIGHT: 258.33722
SMILES: CCN(CCS(=O)(=O)O)C1=CC(=C(C=C1)N)C
Structure:

CAS RN: 32496-78-9
CAS Name: N-(3-chlorophenyl)carbamic acid 2-methylbut-3-yn-2-yl ester
OPENEYE Name: 1,1-dimethylprop-2-ynyl N-(3-chlorophenyl)carbamate
IUPAC Name: 2-methylbut-3-yn-2-yl N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: 2-methylbut-3-yn-2-yl N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C12H12ClNO2
MOLECULAR WEIGHT: 237.68218
SMILES: CC(C)(C#C)OC(=O)NC1=CC(=CC=C1)Cl
Structure:

CAS RN: 2441-67-0
CAS Name: 2-[[[8-amino-9-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-4,6-dimethyl-7-oxo-1-phenoxazinyl]-oxomethyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[8-amino-9-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-4,6-dimethyl-7-oxo-phenoxazine-1-carbonyl]amino]acetate
IUPAC Name: ethyl 2-[[8-amino-9-[(2-ethoxy-2-oxoethyl)carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[8-azanyl-9-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-4,6-dimethyl-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]ethanoate
MOLECULAR FORMULA: C24H26N4O8
MOLECULAR WEIGHT: 498.48524
SMILES: CCOC(=O)CNC(=O)C1=C2C(=C(C=C1)C)OC3=C(C(=O)C(=C(C3=N2)C(=O)NCC(=O)OCC)N)C
Structure:

CAS RN: 32540-15-1
CAS Name: 3-(trichloromethylthio)-1,3-thiazinane-2,4-dione
OPENEYE Name: 3-(trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione
IUPAC Name: 3-(trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione
SYSTEMATIC NAME: 3-(trichloromethylsulfanyl)-1,3-thiazinane-2,4-dione
MOLECULAR FORMULA: C5H4Cl3NO2S2
MOLECULAR WEIGHT: 280.57976
SMILES: C1CSC(=O)N(C1=O)SC(Cl)(Cl)Cl
Structure:

CAS RN: 3597-44-2
CAS Name: 17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
OPENEYE Name: 17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
IUPAC Name: 17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
SYSTEMATIC NAME: 10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)O)O)C
Structure:

CAS RN: 77943-98-7
CAS Name: 11-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 11-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 11-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 17-(1-hydroxyethyl)-10,13-dimethyl-11-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: CC(C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
Structure:

CAS RN: 2485-90-7
CAS Name: 1-[2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
OPENEYE Name: 1-[2-(2,4-dinitrophenyl)vinyl]-2,4-dinitro-benzene
IUPAC Name: 1-[2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-[2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitro-benzene
MOLECULAR FORMULA: C14H8N4O8
MOLECULAR WEIGHT: 360.23532
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 69359-27-9
CAS Name: 2-(hydroxymethyl)-5-(6-propyl-9-purinyl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(6-propylpurin-9-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(6-propylpurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(6-propylpurin-9-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C13H18N4O4
MOLECULAR WEIGHT: 294.30642
SMILES: CCCC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 1730-44-5
CAS Name: 2-chloro-7-methoxy-10H-phenothiazine
OPENEYE Name: 2-chloro-7-methoxy-10H-phenothiazine
IUPAC Name: 2-chloro-7-methoxy-10H-phenothiazine
SYSTEMATIC NAME: 2-chloranyl-7-methoxy-10H-phenothiazine
MOLECULAR FORMULA: C13H10ClNOS
MOLECULAR WEIGHT: 263.7426
SMILES: COC1=CC2=C(C=C1)NC3=C(S2)C=CC(=C3)Cl
Structure:

CAS RN: 1576-70-1
CAS Name: 1-methoxy-10H-phenothiazine
OPENEYE Name: 1-methoxy-10H-phenothiazine
IUPAC Name: 1-methoxy-10H-phenothiazine
SYSTEMATIC NAME: 1-methoxy-10H-phenothiazine
MOLECULAR FORMULA: C13H11NOS
MOLECULAR WEIGHT: 229.29754
SMILES: COC1=C2C(=CC=C1)SC3=CC=CC=C3N2
Structure:

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