Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-hydroxyethyl 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C14H12N2O4S
MOLECULAR WEIGHT: 304.32108
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCO
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Product OPENEYE NAME: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester
IUPAC NAME: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C21H18N4O4
MOLECULAR WEIGHT: 390.39202
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)O[C@H](C)C4=NN=C(O4)C5=CC=CC=C5
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Product OPENEYE NAME: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester
IUPAC NAME: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C21H18N4O4
MOLECULAR WEIGHT: 390.39202
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)O[C@@H](C)C4=NN=C(O4)C5=CC=CC=C5
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Product OPENEYE NAME: [2-[[(1R)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C21H29N3O4
MOLECULAR WEIGHT: 387.47266
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)N[C@H](C)CCCC(C)C
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Product OPENEYE NAME: [2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C21H29N3O4
MOLECULAR WEIGHT: 387.47266
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)N[C@@H](C)CCCC(C)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C19H19N3O4S
MOLECULAR WEIGHT: 385.43686
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)O[C@H](C)C(=O)NCC4=CC=CS4
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C19H19N3O4S
MOLECULAR WEIGHT: 385.43686
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)O[C@@H](C)C(=O)NCC4=CC=CS4
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Product OPENEYE NAME: N-(4-cyanophenyl)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CAS Name: N-(4-cyanophenyl)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio]propanamide
IUPAC NAME: N-(4-cyanophenyl)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
SYSTEMATIC NAME: N-(4-cyanophenyl)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
MOLECULAR FORMULA: C20H16N6OS
MOLECULAR WEIGHT: 388.44564
SMILES: CC1=NN2C(=N1)C3=CC=CC=C3N=C2SCCC(=O)NC4=CC=C(C=C4)C#N
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate
CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate
MOLECULAR FORMULA: C22H21N5O4S
MOLECULAR WEIGHT: 451.49824
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)CCN3C4=CC=CC=C4N(C3=O)C
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Product OPENEYE NAME: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3S)-3-phenyl-3-ureido-propanoate
CAS Name: (3S)-3-(carbamoylamino)-3-phenylpropanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester
IUPAC NAME: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3S)-3-(carbamoylamino)-3-phenylpropanoate
SYSTEMATIC NAME: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3S)-3-(aminocarbonylamino)-3-phenyl-propanoate
MOLECULAR FORMULA: C19H19ClN2O5
MOLECULAR WEIGHT: 390.81756
SMILES: C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C[C@@H](C3=CC=CC=C3)NC(=O)N
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Product OPENEYE NAME: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3R)-3-phenyl-3-ureido-propanoate
CAS Name: (3R)-3-(carbamoylamino)-3-phenylpropanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester
IUPAC NAME: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3R)-3-(carbamoylamino)-3-phenylpropanoate
SYSTEMATIC NAME: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (3R)-3-(aminocarbonylamino)-3-phenyl-propanoate
MOLECULAR FORMULA: C19H19ClN2O5
MOLECULAR WEIGHT: 390.81756
SMILES: C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C[C@H](C3=CC=CC=C3)NC(=O)N
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Product OPENEYE NAME: N-(3-cyanophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CAS Name: N-(3-cyanophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propanamide
IUPAC NAME: N-(3-cyanophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SYSTEMATIC NAME: N-(3-cyanophenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
MOLECULAR FORMULA: C17H19N5OS
MOLECULAR WEIGHT: 341.43066
SMILES: C1CCC(C1)C2=NC(=NN2)SCCC(=O)NC3=CC=CC(=C3)C#N
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