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

Systemtic Name: methyl 3-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-[[(1-methyltetrazol-5-yl)thio]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=NN3C

Isomeric SMILES

CN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)CSC3=NN=NN3C

InChI

InChI=1S/C16H18N6O3S/c1-21-11(9-26-16-18-19-20-22(16)2)12(14(23)25-3)13(17-15(21)24)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,17,24)