Wednesday, December 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H31N5O3S
MOLECULAR WEIGHT: 481.61034
SMILES: CC1=NC2=C(C(=C1)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N=C5N2CCCCC5
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Product OPENEYE NAME: N-[2-[[2-(ethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[2-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[2-[[1-(ethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C17H19N3O3S
MOLECULAR WEIGHT: 345.41606
SMILES: CCNC(=O)C(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CS2
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Product OPENEYE NAME: 5-chloro-2-methylsulfanyl-N-[2-(2-thienylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CAS Name: 5-chloro-2-(methylthio)-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-pyrimidinecarboxamide
IUPAC NAME: 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide
SYSTEMATIC NAME: 5-chloranyl-2-methylsulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide
MOLECULAR FORMULA: C13H14ClN3OS3
MOLECULAR WEIGHT: 359.91776
SMILES: CSC1=NC=C(C(=N1)C(=O)NCCSCC2=CC=CS2)Cl
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Product OPENEYE NAME: N-[2-[(4-iodophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[2-[(4-iodoanilino)-oxomethyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[2-[(4-iodophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[2-[(4-iodophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C18H13IN2O2S
MOLECULAR WEIGHT: 448.27749
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)I)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: 5-chloro-2-methylsulfanyl-N-[[2-(morpholinomethyl)phenyl]methyl]pyrimidine-4-carboxamide
CAS Name: 5-chloro-2-(methylthio)-N-[[2-(4-morpholinylmethyl)phenyl]methyl]-4-pyrimidinecarboxamide
IUPAC NAME: 5-chloro-2-methylsulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide
SYSTEMATIC NAME: 5-chloranyl-2-methylsulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide
MOLECULAR FORMULA: C18H21ClN4O2S
MOLECULAR WEIGHT: 392.90294
SMILES: CSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2CN3CCOCC3)Cl
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Product OPENEYE NAME:
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27N5O
MOLECULAR WEIGHT: 377.48268
SMILES: CC1=NC2=C(C(=C1)C(=O)NCC3=CC=C(C=C3)N(C)C)N=C4N2CCCCC4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H29N5O
MOLECULAR WEIGHT: 391.50926
SMILES: CC1=NC2=C(C(=C1)C(=O)NCC3=CC=C(C=C3)CN(C)C)N=C4N2CCCCC4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30N6O2
MOLECULAR WEIGHT: 410.5126
SMILES: CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)CC(=O)NC4CC4)N=C5N2CCCCC5
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Product OPENEYE NAME: N-cyclopropyl-2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
CAS Name: N-cyclopropyl-2-[4-[(2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-cyclopropyl-2-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-cyclopropyl-2-[4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C21H27N5O2S
MOLECULAR WEIGHT: 413.53638
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4CCN(CC4)CC(=O)NC5CC5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H25F2N5O3S
MOLECULAR WEIGHT: 489.538106
SMILES: CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F)N=C5N2CCCCC5
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Product OPENEYE NAME: N-benzyl-1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperidine-4-carboxamide
CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide
IUPAC NAME: N-benzyl-1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C19H21ClN4O2S
MOLECULAR WEIGHT: 404.91364
SMILES: CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H31N5O2
MOLECULAR WEIGHT: 445.55664
SMILES: CC1=NC2=C(C(=C1)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)N=C5N2CCCCC5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H31N5O2
MOLECULAR WEIGHT: 433.54594
SMILES: CC1=NC2=C(C(=C1)C(=O)N(C)CC3=CC=CC=C3N4CCOCC4)N=C5N2CCCCC5
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