methyl 4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-2-keto-3-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)CSC3=NN=CN3N

Isomeric SMILES

CN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)CSC3=NN=CN3N

InChI

InChI=1S/C16H18N6O3S/c1-21-11(8-26-16-20-18-9-22(16)17)12(14(23)25-2)13(19-15(21)24)10-6-4-3-5-7-10/h3-7,9,13H,8,17H2,1-2H3,(H,19,24)