methyl 5-[[4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C16H14ClN5O4S/c1-25-15(24)12-4-3-10(26-12)8-22-7-9(5-19-22)20-14(23)13-11(17)6-18-16(21-13)27-2/h3-7H,8H2,1-2H3,(H,20,23)