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

Systemtic Name: methyl 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-2-keto-3-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)CSC3=NN=NN3C4CC4

Isomeric SMILES

CN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OC)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C18H20N6O3S/c1-23-13(10-28-18-20-21-22-24(18)12-8-9-12)14(16(25)27-2)15(19-17(23)26)11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3,(H,19,26)