Monday, April 30, 2012

http://ChemLookup.com Compounds




CAS RN: 57723-02-1
CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-phenylthiourea
OPENEYE Name: 1-(2-morpholinoethyl)-3-phenyl-thiourea
IUPAC Name: 1-(2-morpholin-4-ylethyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2-morpholin-4-ylethyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H19N3OS
MOLECULAR WEIGHT: 265.37446
SMILES: C1COCCN1CCNC(=S)NC2=CC=CC=C2
Structure:

CAS RN: 345637-69-6
CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid
OPENEYE Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid
IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C7H9N3O4
MOLECULAR WEIGHT: 199.16406
SMILES: CC1=C(C(=NN1CC(=O)O)C)[N+](=O)[O-]
Structure:

CAS RN: 307343-50-6
CAS Name: 2-amino-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-(4-phenylphenyl)thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-(4-phenylphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-(4-phenylphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C19H17NO2S
MOLECULAR WEIGHT: 323.40878
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)N
Structure:

CAS RN: 121629-21-8
CAS Name: 3-(4-hydroxyphenyl)benzoic acid
OPENEYE Name: 3-(4-hydroxyphenyl)benzoic acid
IUPAC Name: 3-(4-hydroxyphenyl)benzoic acid
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)benzoic acid
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)O
Structure:

CAS RN: 6014-07-9
CAS Name: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
OPENEYE Name: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
IUPAC Name: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
SYSTEMATIC NAME: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
MOLECULAR FORMULA: C11H8N4S
MOLECULAR WEIGHT: 228.27302
SMILES: C1=CC=C(C=C1)N2C3=NC=NC(=S)C3=CN2
Structure:

CAS RN: 77815-14-6
CAS Name: 4-(4-fluorophenyl)-2-thiazolamine
OPENEYE Name: 4-(4-fluorophenyl)thiazol-2-amine
IUPAC Name: 4-(4-fluorophenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-fluorophenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H7FN2S
MOLECULAR WEIGHT: 194.228683
SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)F
Structure:

CAS RN: 4437-65-4
CAS Name: 4-methyl-1H-quinoline-2-thione
OPENEYE Name: 4-methyl-1H-quinoline-2-thione
IUPAC Name: 4-methyl-1H-quinoline-2-thione
SYSTEMATIC NAME: 4-methyl-1H-quinoline-2-thione
MOLECULAR FORMULA: C10H9NS
MOLECULAR WEIGHT: 175.25016
SMILES: CC1=CC(=S)NC2=CC=CC=C12
Structure:

CAS RN: 84941-16-2
CAS Name: 1-(difluoromethyl)-2-methylbenzimidazole
OPENEYE Name: 1-(difluoromethyl)-2-methyl-benzimidazole
IUPAC Name: 1-(difluoromethyl)-2-methylbenzimidazole
SYSTEMATIC NAME: 1-[bis(fluoranyl)methyl]-2-methyl-benzimidazole
MOLECULAR FORMULA: C9H8F2N2
MOLECULAR WEIGHT: 182.170026
SMILES: CC1=NC2=CC=CC=C2N1C(F)F
Structure:

CAS RN: 152487-69-9
CAS Name: 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylate
IUPAC Name: diethyl 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylate
SYSTEMATIC NAME: diethyl 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylate
MOLECULAR FORMULA: C14H16O4S2
MOLECULAR WEIGHT: 312.40444
SMILES: CCOC(=O)C1=C(C2=C(S1)SC(=C2C)C(=O)OCC)C
Structure:

CAS RN: 5227-19-0
CAS Name: 4-[(5-methyl-2-thiophenyl)methylideneamino]benzenesulfonamide
OPENEYE Name: 4-[(5-methyl-2-thienyl)methyleneamino]benzenesulfonamide
IUPAC Name: 4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
SYSTEMATIC NAME: 4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
MOLECULAR FORMULA: C12H12N2O2S2
MOLECULAR WEIGHT: 280.36588
SMILES: CC1=CC=C(S1)C=NC2=CC=C(C=C2)S(=O)(=O)N
Structure:

CAS RN: 69164-27-8
CAS Name: 4-methyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-methyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-methyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C7H7N3S2
MOLECULAR WEIGHT: 197.28058
SMILES: CN1C(=NNC1=S)C2=CC=CS2
Structure:

CAS RN: 2799-15-7
CAS Name: (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
OPENEYE Name: (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: C[C@@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N
Structure:

CAS RN: 22190-38-1
CAS Name: 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone
OPENEYE Name: 1-(5-bromoindolin-1-yl)ethanone
IUPAC Name: 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-2,3-dihydroindol-1-yl)ethanone
MOLECULAR FORMULA: C10H10BrNO
MOLECULAR WEIGHT: 240.0965
SMILES: CC(=O)N1CCC2=C1C=CC(=C2)Br
Structure:

CAS RN: 36251-85-1
CAS Name: 1-cyclohexyl-3-(2-pyridinyl)thiourea
OPENEYE Name: 1-cyclohexyl-3-(2-pyridyl)thiourea
IUPAC Name: 1-cyclohexyl-3-pyridin-2-ylthiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-pyridin-2-yl-thiourea
MOLECULAR FORMULA: C12H17N3S
MOLECULAR WEIGHT: 235.34848
SMILES: C1CCC(CC1)NC(=S)NC2=CC=CC=N2
Structure:

CAS RN: 60779-50-2
CAS Name: 2-amino-N-(2,3-dimethylphenyl)benzamide
OPENEYE Name: 2-amino-N-(2,3-dimethylphenyl)benzamide
IUPAC Name: 2-amino-N-(2,3-dimethylphenyl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-(2,3-dimethylphenyl)benzamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2N)C
Structure:

CAS RN: 23576-81-0
CAS Name: 6-chloroimidazo[2,1-b]thiazole
OPENEYE Name: 6-chloroimidazo[2,1-b]thiazole
IUPAC Name: 6-chloroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 6-chloranylimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C5H3ClN2S
MOLECULAR WEIGHT: 158.60872
SMILES: C1=CSC2=NC(=CN21)Cl
Structure:

CAS RN: 19358-23-7
CAS Name: (E)-N-(2,4-dimethylphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(2,4-dimethylphenyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(2,4-dimethylphenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2)C
Structure:

CAS RN: 1944-42-9
CAS Name: (E)-N-(2,4-dimethylphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(2,4-dimethylphenyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(2,4-dimethylphenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2)C
Structure:

CAS RN: 5351-85-9
CAS Name: (1,3-benzodioxol-5-ylmethylideneamino)thiourea
OPENEYE Name: (1,3-benzodioxol-5-ylmethyleneamino)thiourea
IUPAC Name: (1,3-benzodioxol-5-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C9H9N3O2S
MOLECULAR WEIGHT: 223.25166
SMILES: C1OC2=C(O1)C=C(C=C2)C=NNC(=S)N
Structure:

CAS RN: 5237-32-1
CAS Name: 3-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 3-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
IUPAC Name: methyl 3-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 3-[2-(4-chloranylphenoxy)ethanoylamino]benzoate
MOLECULAR FORMULA: C16H14ClNO4
MOLECULAR WEIGHT: 319.73966
SMILES: COC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)Cl
Structure:

CAS RN: 303121-11-1
CAS Name: 6-ethoxy-1H-quinolin-4-one
OPENEYE Name: 6-ethoxy-1H-quinolin-4-one
IUPAC Name: 6-ethoxy-1H-quinolin-4-one
SYSTEMATIC NAME: 6-ethoxy-1H-quinolin-4-one
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CCOC1=CC2=C(C=C1)NC=CC2=O
Structure:

CAS RN: 124480-95-1
CAS Name: 3,5-diethoxybenzoic acid
OPENEYE Name: 3,5-diethoxybenzoic acid
IUPAC Name: 3,5-diethoxybenzoic acid
SYSTEMATIC NAME: 3,5-diethoxybenzoic acid
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CCOC1=CC(=CC(=C1)C(=O)O)OCC
Structure:

CAS RN: 37908-97-7
CAS Name: 3,5-dichloro-4-methoxybenzoic acid
OPENEYE Name: 3,5-dichloro-4-methoxy-benzoic acid
IUPAC Name: 3,5-dichloro-4-methoxybenzoic acid
SYSTEMATIC NAME: 3,5-bis(chloranyl)-4-methoxy-benzoic acid
MOLECULAR FORMULA: C8H6Cl2O3
MOLECULAR WEIGHT: 221.03744
SMILES: COC1=C(C=C(C=C1Cl)C(=O)O)Cl
Structure:

CAS RN: 42201-71-8
CAS Name: 3,5-dichloro-4-methoxybenzoic acid
OPENEYE Name: 3,5-dichloro-4-methoxy-benzoic acid
IUPAC Name: 3,5-dichloro-4-methoxybenzoic acid
SYSTEMATIC NAME: 3,5-bis(chloranyl)-4-methoxy-benzoic acid
MOLECULAR FORMULA: C8H6Cl2O3
MOLECULAR WEIGHT: 221.03744
SMILES: COC1=C(C=C(C=C1Cl)C(=O)O)Cl
Structure:

CAS RN: 94372-70-0
CAS Name: N-(3-aminophenyl)butanamide
OPENEYE Name: N-(3-aminophenyl)butanamide
IUPAC Name: N-(3-aminophenyl)butanamide
SYSTEMATIC NAME: N-(3-aminophenyl)butanamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CCCC(=O)NC1=CC=CC(=C1)N
Structure:

CAS RN: 293737-98-1
CAS Name: 2-(4-fluorophenyl)-5-benzotriazolamine
OPENEYE Name: 2-(4-fluorophenyl)benzotriazol-5-amine
IUPAC Name: 2-(4-fluorophenyl)benzotriazol-5-amine
SYSTEMATIC NAME: 2-(4-fluorophenyl)benzotriazol-5-amine
MOLECULAR FORMULA: C12H9FN4
MOLECULAR WEIGHT: 228.225063
SMILES: C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)N)F
Structure:

CAS RN: 41230-21-1
CAS Name: 3-(1,3-benzothiazol-2-yl)aniline
OPENEYE Name: 3-(1,3-benzothiazol-2-yl)aniline
IUPAC Name: 3-(1,3-benzothiazol-2-yl)aniline
SYSTEMATIC NAME: 3-(1,3-benzothiazol-2-yl)aniline
MOLECULAR FORMULA: C13H10N2S
MOLECULAR WEIGHT: 226.2969
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N
Structure:

CAS RN: 41373-36-8
CAS Name: 3-(1,3-benzoxazol-2-yl)aniline
OPENEYE Name: 3-(1,3-benzoxazol-2-yl)aniline
IUPAC Name: 3-(1,3-benzoxazol-2-yl)aniline
SYSTEMATIC NAME: 3-(1,3-benzoxazol-2-yl)aniline
MOLECULAR FORMULA: C13H10N2O
MOLECULAR WEIGHT: 210.2313
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N
Structure:

CAS RN: 20172-36-5
CAS Name: 2-chloro-N-(4-ethylphenyl)acetamide
OPENEYE Name: 2-chloro-N-(4-ethylphenyl)acetamide
IUPAC Name: 2-chloro-N-(4-ethylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-ethylphenyl)ethanamide
MOLECULAR FORMULA: C10H12ClNO
MOLECULAR WEIGHT: 197.66138
SMILES: CCC1=CC=C(C=C1)NC(=O)CCl
Structure:

CAS RN: 21358-15-6
CAS Name: 3-(phenoxymethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(phenoxymethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(phenoxymethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H13N3OS
MOLECULAR WEIGHT: 247.31612
SMILES: C=CCN1C(=NNC1=S)COC2=CC=CC=C2
Structure:

CAS RN: 74537-19-2
CAS Name: 2-(7H-purin-6-ylthio)acetamide
OPENEYE Name: 2-(7H-purin-6-ylsulfanyl)acetamide
IUPAC Name: 2-(7H-purin-6-ylsulfanyl)acetamide
SYSTEMATIC NAME: 2-(7H-purin-6-ylsulfanyl)ethanamide
MOLECULAR FORMULA: C7H7N5OS
MOLECULAR WEIGHT: 209.22838
SMILES: C1=NC2=C(N1)C(=NC=N2)SCC(=O)N
Structure:

CAS RN: 608-09-3
CAS Name: 2-(7H-purin-6-ylthio)acetic acid
OPENEYE Name: 2-(7H-purin-6-ylsulfanyl)acetic acid
IUPAC Name: 2-(7H-purin-6-ylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-(7H-purin-6-ylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C7H6N4O2S
MOLECULAR WEIGHT: 210.21314
SMILES: C1=NC2=C(N1)C(=NC=N2)SCC(=O)O
Structure:

CAS RN: 40914-13-4
CAS Name: 2-chloro-N-(2-furanylmethyl)acetamide
OPENEYE Name: 2-chloro-N-(2-furylmethyl)acetamide
IUPAC Name: 2-chloro-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C7H8ClNO2
MOLECULAR WEIGHT: 173.59692
SMILES: C1=COC(=C1)CNC(=O)CCl
Structure:

CAS RN: 469-22-7
CAS Name: (1R,2R)-cyclohexane-1,2-dicarboxylic acid
OPENEYE Name: (1R,2R)-cyclohexane-1,2-dicarboxylic acid
IUPAC Name: (1R,2R)-cyclohexane-1,2-dicarboxylic acid
SYSTEMATIC NAME: (1R,2R)-cyclohexane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O
Structure:

CAS RN: 30748-47-1
CAS Name: 1-(2-amino-4-methyl-5-thiazolyl)ethanone
OPENEYE Name: 1-(2-amino-4-methyl-thiazol-5-yl)ethanone
IUPAC Name: 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-4-methyl-1,3-thiazol-5-yl)ethanone
MOLECULAR FORMULA: C6H8N2OS
MOLECULAR WEIGHT: 156.20552
SMILES: CC1=C(SC(=N1)N)C(=O)C
Structure:

CAS RN: 22312-61-4
CAS Name: 2-amino-N-(3-chlorophenyl)benzamide
OPENEYE Name: 2-amino-N-(3-chlorophenyl)benzamide
IUPAC Name: 2-amino-N-(3-chlorophenyl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-(3-chlorophenyl)benzamide
MOLECULAR FORMULA: C13H11ClN2O
MOLECULAR WEIGHT: 246.69224
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)N
Structure:

CAS RN: 4493-32-7
CAS Name: 3-phenyl-1H-benzimidazole-2-thione
OPENEYE Name: 3-phenyl-1H-benzimidazole-2-thione
IUPAC Name: 3-phenyl-1H-benzimidazole-2-thione
SYSTEMATIC NAME: 3-phenyl-1H-benzimidazole-2-thione
MOLECULAR FORMULA: C13H10N2S
MOLECULAR WEIGHT: 226.2969
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S
Structure:

CAS RN: 65399-05-5
CAS Name: 5-amino-3H-isobenzofuran-1-one
OPENEYE Name: 5-amino-3H-isobenzofuran-1-one
IUPAC Name: 5-amino-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 5-azanyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: C1C2=C(C=CC(=C2)N)C(=O)O1
Structure:

CAS RN: 90560-54-6
CAS Name: N-(2-bromo-4-methylphenyl)-2-chloroacetamide
OPENEYE Name: N-(2-bromo-4-methyl-phenyl)-2-chloro-acetamide
IUPAC Name: N-(2-bromo-4-methylphenyl)-2-chloroacetamide
SYSTEMATIC NAME: N-(2-bromanyl-4-methyl-phenyl)-2-chloranyl-ethanamide
MOLECULAR FORMULA: C9H9BrClNO
MOLECULAR WEIGHT: 262.53086
SMILES: CC1=CC(=C(C=C1)NC(=O)CCl)Br
Structure:

CAS RN: 636-26-0
CAS Name: 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-methyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C5H6N2OS
MOLECULAR WEIGHT: 142.17894
SMILES: CC1=CNC(=S)NC1=O
Structure:

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