Thursday, June 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-methyl-3-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)isothiourea
CAS Name: N'-phenyl-N-(2,3,4,5-tetrahydropyridin-6-ylamino)carbamimidothioic acid methyl ester
IUPAC NAME: methyl N'-phenyl-N-(2,3,4,5-tetrahydropyridin-6-ylamino)carbamimidothioate
SYSTEMATIC NAME: methyl N'-phenyl-N-(2,3,4,5-tetrahydropyridin-6-ylamino)carbamimidothioate
MOLECULAR FORMULA: C13H18N4S
MOLECULAR WEIGHT: 262.37382
SMILES: CSC(=NC1=CC=CC=C1)NNC2=NCCCC2
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Product OPENEYE NAME: 3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propan-1-amine
CAS Name: 3-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1-propanamine
IUPAC NAME: 3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propan-1-amine
SYSTEMATIC NAME: 3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propan-1-amine
MOLECULAR FORMULA: C6H12N4S
MOLECULAR WEIGHT: 172.25128
SMILES: CSC1=NNC(=N1)CCCN
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Product OPENEYE NAME: 4-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)butan-1-amine
CAS Name: 4-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1-butanamine
IUPAC NAME: 4-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)butan-1-amine
SYSTEMATIC NAME: 4-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)butan-1-amine
MOLECULAR FORMULA: C7H14N4S
MOLECULAR WEIGHT: 186.27786
SMILES: CSC1=NNC(=N1)CCCCN
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Product OPENEYE NAME: N-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
CAS Name: N-methyl-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-propanamine
IUPAC NAME: N-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
SYSTEMATIC NAME: N-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
MOLECULAR FORMULA: C8H16N4S
MOLECULAR WEIGHT: 200.30444
SMILES: CNCCCC1=NN=C(N1C)SC
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Product OPENEYE NAME: 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
CAS Name: 3-[4-ethyl-5-(ethylthio)-1,2,4-triazol-3-yl]-1-propanamine
IUPAC NAME: 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
SYSTEMATIC NAME: 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
MOLECULAR FORMULA: C9H18N4S
MOLECULAR WEIGHT: 214.33102
SMILES: CCN1C(=NN=C1SCC)CCCN
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Product OPENEYE NAME: N-[3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CAS Name: N-[3-[3-(methylthio)-1H-1,2,4-triazol-5-yl]propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
IUPAC NAME: N-[3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SYSTEMATIC NAME: N-[3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
MOLECULAR FORMULA: C12H21N5S
MOLECULAR WEIGHT: 267.39364
SMILES: CSC1=NNC(=N1)CCCNC2=NCCCCC2
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Product OPENEYE NAME: N-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3,4-dihydro-2H-pyrrol-5-amine
CAS Name: N-[3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3,4-dihydro-2H-pyrrol-5-amine
IUPAC NAME: N-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3,4-dihydro-2H-pyrrol-5-amine
SYSTEMATIC NAME: N-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3,4-dihydro-2H-pyrrol-5-amine
MOLECULAR FORMULA: C11H19N5S
MOLECULAR WEIGHT: 253.36706
SMILES: CN1C(=NN=C1SC)CCCNC2=NCCC2
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Product OPENEYE NAME: N-[3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3,4-dihydro-2H-pyrrol-5-amine
CAS Name: N-[3-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]propyl]-3,4-dihydro-2H-pyrrol-5-amine
IUPAC NAME: N-[3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3,4-dihydro-2H-pyrrol-5-amine
SYSTEMATIC NAME: N-[3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3,4-dihydro-2H-pyrrol-5-amine
MOLECULAR FORMULA: C16H21N5S
MOLECULAR WEIGHT: 315.43644
SMILES: CSC1=NN=C(N1C2=CC=CC=C2)CCCNC3=NCCC3
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Product OPENEYE NAME: 1-methyl-3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]thiourea
CAS Name: 1-methyl-3-[(Z)-(1-methyl-2-pyrrolidinylidene)amino]thiourea
IUPAC NAME: 1-methyl-3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]thiourea
MOLECULAR FORMULA: C7H14N4S
MOLECULAR WEIGHT: 186.27786
SMILES: CNC(=S)N/N=C\1/CCCN1C
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Product OPENEYE NAME: 2,4-diaminothieno[2,3-d]pyrimidine-6-carbonitrile
CAS Name: 2,4-diamino-6-thieno[2,3-d]pyrimidinecarbonitrile
IUPAC NAME: 2,4-diaminothieno[2,3-d]pyrimidine-6-carbonitrile
SYSTEMATIC NAME: 2,4-bis(azanyl)thieno[2,3-d]pyrimidine-6-carbonitrile
MOLECULAR FORMULA: C7H5N5S
MOLECULAR WEIGHT: 191.2131
SMILES: C1=C(SC2=NC(=NC(=C21)N)N)C#N
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Product OPENEYE NAME: 2-amino-4-(diethylamino)thieno[2,3-d]pyrimidine-6-carbonitrile
CAS Name: 2-amino-4-(diethylamino)-6-thieno[2,3-d]pyrimidinecarbonitrile
IUPAC NAME: 2-amino-4-(diethylamino)thieno[2,3-d]pyrimidine-6-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(diethylamino)thieno[2,3-d]pyrimidine-6-carbonitrile
MOLECULAR FORMULA: C11H13N5S
MOLECULAR WEIGHT: 247.31942
SMILES: CCN(CC)C1=C2C=C(SC2=NC(=N1)N)C#N
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Product OPENEYE NAME: 2-amino-4-anilino-thieno[2,3-d]pyrimidine-6-carbonitrile
CAS Name: 2-amino-4-anilino-6-thieno[2,3-d]pyrimidinecarbonitrile
IUPAC NAME: 2-amino-4-anilinothieno[2,3-d]pyrimidine-6-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-phenylazanyl-thieno[2,3-d]pyrimidine-6-carbonitrile
MOLECULAR FORMULA: C13H9N5S
MOLECULAR WEIGHT: 267.30906
SMILES: C1=CC=C(C=C1)NC2=C3C=C(SC3=NC(=N2)N)C#N
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Product OPENEYE NAME: 2-amino-4-(N-ethylanilino)thieno[2,3-d]pyrimidine-6-carbonitrile
CAS Name: 2-amino-4-(N-ethylanilino)-6-thieno[2,3-d]pyrimidinecarbonitrile
IUPAC NAME: 2-amino-4-(N-ethylanilino)thieno[2,3-d]pyrimidine-6-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[ethyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-carbonitrile
MOLECULAR FORMULA: C15H13N5S
MOLECULAR WEIGHT: 295.36222
SMILES: CCN(C1=CC=CC=C1)C2=C3C=C(SC3=NC(=N2)N)C#N
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Product OPENEYE NAME: 2-amino-4-morpholino-thieno[2,3-d]pyrimidine-6-carbonitrile
CAS Name: 2-amino-4-(4-morpholinyl)-6-thieno[2,3-d]pyrimidinecarbonitrile
IUPAC NAME: 2-amino-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-morpholin-4-yl-thieno[2,3-d]pyrimidine-6-carbonitrile
MOLECULAR FORMULA: C11H11N5OS
MOLECULAR WEIGHT: 261.30294
SMILES: C1COCCN1C2=C3C=C(SC3=NC(=N2)N)C#N
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Product OPENEYE NAME: 2,4-diaminothieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2,4-diamino-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2,4-diaminothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2,4-bis(azanyl)thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C7H7N5OS
MOLECULAR WEIGHT: 209.22838
SMILES: C1=C(SC2=NC(=NC(=C21)N)N)C(=O)N
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Product OPENEYE NAME: 4-sulfanyl-6-thioxo-1H-pyrimidine-5-carbaldehyde
CAS Name: 4-mercapto-6-sulfanylidene-1H-pyrimidine-5-carboxaldehyde
IUPAC NAME: 4-sulfanyl-6-sulfanylidene-1H-pyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 4-sulfanyl-6-sulfanylidene-1H-pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C5H4N2OS2
MOLECULAR WEIGHT: 172.22806
SMILES: C1=NC(=C(C(=S)N1)C=O)S
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Product OPENEYE NAME: 2-amino-4-chloro-6-(N-ethylanilino)pyrimidine-5-carbaldehyde
CAS Name: 2-amino-4-chloro-6-(N-ethylanilino)-5-pyrimidinecarboxaldehyde
IUPAC NAME: 2-amino-4-chloro-6-(N-ethylanilino)pyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-6-[ethyl(phenyl)amino]pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C13H13ClN4O
MOLECULAR WEIGHT: 276.72152
SMILES: CCN(C1=CC=CC=C1)C2=C(C(=NC(=N2)N)Cl)C=O
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Product OPENEYE NAME: methyl 4-aminothieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-amino-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-aminothieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 4-azanylthieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C8H7N3O2S
MOLECULAR WEIGHT: 209.22508
SMILES: COC(=O)C1=CC2=C(N=CN=C2S1)N
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Product OPENEYE NAME: methyl 4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C12H13N3O2S
MOLECULAR WEIGHT: 263.31552
SMILES: COC(=O)C1=CC2=C(N=CN=C2S1)N3CCCC3
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Product OPENEYE NAME: methyl 4-morpholinothieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-(4-morpholinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C12H13N3O3S
MOLECULAR WEIGHT: 279.31492
SMILES: COC(=O)C1=CC2=C(N=CN=C2S1)N3CCOCC3
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Product OPENEYE NAME: methyl 2-amino-4-(ethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 2-amino-4-(ethylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester
IUPAC NAME: methyl 2-amino-4-(ethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-4-(ethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C10H12N4O2S
MOLECULAR WEIGHT: 252.29288
SMILES: CCNC1=C2C=C(SC2=NC(=N1)N)C(=O)OC
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