Tuesday, June 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (4S)-4-[(1,3-dioxoisoindolin-2-yl)methyl]-5-oxabicyclo[4.1.0]heptane-7-carboxylate
CAS Name: (4S)-4-[(1,3-dioxo-2-isoindolyl)methyl]-5-oxabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-[(1,3-dioxoisoindol-2-yl)methyl]-5-oxabicyclo[4.1.0]heptane-7-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-oxabicyclo[4.1.0]heptane-7-carboxylate
MOLECULAR FORMULA: C18H19NO5
MOLECULAR WEIGHT: 329.34716
SMILES: CCOC(=O)C1C2C1O[C@@H](CC2)CN3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: ethyl 2-[(2S,7aS)-2-[(1,3-dioxoisoindolin-2-yl)methyl]-6-oxo-2,3,4,4a,5,7a-hexahydropyrano[2,3-b]pyrrol-7-yl]-4-methyl-pentanoate
CAS Name: 2-[(2S,7aS)-2-[(1,3-dioxo-2-isoindolyl)methyl]-6-oxo-2,3,4,4a,5,7a-hexahydropyrano[2,3-b]pyrrol-7-yl]-4-methylpentanoic acid ethyl ester
IUPAC NAME: ethyl 2-[(2S,7aS)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-oxo-2,3,4,4a,5,7a-hexahydropyrano[2,3-b]pyrrol-7-yl]-4-methylpentanoate
SYSTEMATIC NAME: ethyl 2-[(2S,7aS)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-oxidanylidene-2,3,4,4a,5,7a-hexahydropyrano[2,3-b]pyrrol-7-yl]-4-methyl-pentanoate
MOLECULAR FORMULA: C24H30N2O6
MOLECULAR WEIGHT: 442.5048
SMILES: CCOC(=O)C(CC(C)C)N1[C@@H]2C(CC[C@H](O2)CN3C(=O)C4=CC=CC=C4C3=O)CC1=O
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Product OPENEYE NAME: [(2R)-3,4-dihydro-2H-pyran-2-yl]methanamine
CAS Name: [(2R)-3,4-dihydro-2H-pyran-2-yl]methanamine
IUPAC NAME: [(2R)-3,4-dihydro-2H-pyran-2-yl]methanamine
SYSTEMATIC NAME: [(2R)-3,4-dihydro-2H-pyran-2-yl]methanamine
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: C1C[C@@H](OC=C1)CN
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Product OPENEYE NAME: 4-methyl-N-[(E)-(4-methylthiazol-2-yl)methyleneamino]benzenesulfonamide
CAS Name: 4-methyl-N-[(E)-(4-methyl-2-thiazolyl)methylideneamino]benzenesulfonamide
IUPAC NAME: 4-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]benzenesulfonamide
MOLECULAR FORMULA: C12H13N3O2S2
MOLECULAR WEIGHT: 295.38052
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=NC(=CS2)C
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Product OPENEYE NAME: (2E)-2-(nitrosomethylene)-5-phenyl-3H-1,3,4-thiadiazole
CAS Name: (2E)-2-(nitrosomethylidene)-5-phenyl-3H-1,3,4-thiadiazole
IUPAC NAME: (2E)-2-(nitrosomethylidene)-5-phenyl-3H-1,3,4-thiadiazole
SYSTEMATIC NAME: (2E)-2-(nitrosomethylidene)-5-phenyl-3H-1,3,4-thiadiazole
MOLECULAR FORMULA: C9H7N3OS
MOLECULAR WEIGHT: 205.23638
SMILES: C1=CC=C(C=C1)C2=NN/C(=C\N=O)/S2
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Product OPENEYE NAME: 2-[(E)-diazomethyl]-5-phenyl-1,3,4-thiadiazole
CAS Name: 2-[(E)-diazomethyl]-5-phenyl-1,3,4-thiadiazole
IUPAC NAME: 2-[(E)-diazomethyl]-5-phenyl-1,3,4-thiadiazole
SYSTEMATIC NAME: 2-[(E)-diazomethyl]-5-phenyl-1,3,4-thiadiazole
MOLECULAR FORMULA: C9H6N4S
MOLECULAR WEIGHT: 202.23574
SMILES: C1=CC=C(C=C1)C2=NN=C(S2)C=[N+]=[N-]
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Product OPENEYE NAME: 2-azido-4-methyl-thiazole
CAS Name: 2-azido-4-methylthiazole
IUPAC NAME: 2-azido-4-methyl-1,3-thiazole
SYSTEMATIC NAME: 2-azido-4-methyl-1,3-thiazole
MOLECULAR FORMULA: C4H4N4S
MOLECULAR WEIGHT: 140.16636
SMILES: CC1=CSC(=N1)N=[N+]=[N-]
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Product OPENEYE NAME: thiazolo[2,3-e]tetrazole
CAS Name: thiazolo[2,3-e]tetrazole
IUPAC NAME: [1,3]thiazolo[2,3-e]tetrazole
SYSTEMATIC NAME: [1,3]thiazolo[2,3-e][1,2,3,4]tetrazole
MOLECULAR FORMULA: C3H2N4S
MOLECULAR WEIGHT: 126.13978
SMILES: C1=CSC2=NN=NN21
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Product OPENEYE NAME: 6-methylthiazolo[2,3-e]tetrazole
CAS Name: 6-methylthiazolo[2,3-e]tetrazole
IUPAC NAME: 6-methyl-[1,3]thiazolo[2,3-e]tetrazole
SYSTEMATIC NAME: 6-methyl-[1,3]thiazolo[2,3-e][1,2,3,4]tetrazole
MOLECULAR FORMULA: C4H4N4S
MOLECULAR WEIGHT: 140.16636
SMILES: CC1=CSC2=NN=NN12
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Product OPENEYE NAME: 1-(1-anthryl)pyrrolidine-2,5-dione
CAS Name: 1-(1-anthracenyl)pyrrolidine-2,5-dione
IUPAC NAME: 1-anthracen-1-ylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-anthracen-1-ylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C18H13NO2
MOLECULAR WEIGHT: 275.30132
SMILES: C1CC(=O)N(C1=O)C2=CC=CC3=CC4=CC=CC=C4C=C32
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Product OPENEYE NAME: 1-(9-anthryl)pyrrolidine-2,5-dione
CAS Name: 1-(9-anthracenyl)pyrrolidine-2,5-dione
IUPAC NAME: 1-anthracen-9-ylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-anthracen-9-ylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C18H13NO2
MOLECULAR WEIGHT: 275.30132
SMILES: C1CC(=O)N(C1=O)C2=C3C=CC=CC3=CC4=CC=CC=C42
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Product OPENEYE NAME: 4-(1-anthrylamino)-4-oxo-butanoic acid
CAS Name: 4-(1-anthracenylamino)-4-oxobutanoic acid
IUPAC NAME: 4-(anthracen-1-ylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(anthracen-1-ylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC(=O)CCC(=O)O
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Product OPENEYE NAME: 4-(9-anthrylamino)-4-oxo-butanoic acid
CAS Name: 4-(9-anthracenylamino)-4-oxobutanoic acid
IUPAC NAME: 4-(anthracen-9-ylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(anthracen-9-ylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2NC(=O)CCC(=O)O
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Product OPENEYE NAME: 10-butyl-5-chloro-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
CAS Name: 10-butyl-5-chloro-3-methylpyrimido[4,5-b]quinoline-2,4-dione
IUPAC NAME: 10-butyl-5-chloro-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-butyl-5-chloranyl-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C16H16ClN3O2
MOLECULAR WEIGHT: 317.77014
SMILES: CCCCN1C2=CC=CC=C2C(=C3C1=NC(=O)N(C3=O)C)Cl
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Product OPENEYE NAME: 5-chloro-3-methyl-10-octyl-pyrimido[4,5-b]quinoline-2,4-dione
CAS Name: 5-chloro-3-methyl-10-octylpyrimido[4,5-b]quinoline-2,4-dione
IUPAC NAME: 5-chloro-3-methyl-10-octylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-3-methyl-10-octyl-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C20H24ClN3O2
MOLECULAR WEIGHT: 373.87646
SMILES: CCCCCCCCN1C2=CC=CC=C2C(=C3C1=NC(=O)N(C3=O)C)Cl
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Product OPENEYE NAME: 5-chloro-10-dodecyl-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
CAS Name: 5-chloro-10-dodecyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
IUPAC NAME: 5-chloro-10-dodecyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-10-dodecyl-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C24H32ClN3O2
MOLECULAR WEIGHT: 429.98278
SMILES: CCCCCCCCCCCCN1C2=CC=CC=C2C(=C3C1=NC(=O)N(C3=O)C)Cl
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Product OPENEYE NAME: 10-ethyl-3-methyl-5-(2-phenylethylamino)pyrimido[4,5-b]quinoline-2,4-dione
CAS Name: 10-ethyl-3-methyl-5-(2-phenylethylamino)pyrimido[4,5-b]quinoline-2,4-dione
IUPAC NAME: 10-ethyl-3-methyl-5-(2-phenylethylamino)pyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-ethyl-3-methyl-5-(2-phenylethylamino)pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C22H22N4O2
MOLECULAR WEIGHT: 374.43568
SMILES: CCN1C2=CC=CC=C2C(=C3C1=NC(=O)N(C3=O)C)NCCC4=CC=CC=C4
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