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

Systemtic Name: methyl 3-cyclopropyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C=NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C19H21N5O3S/c1-23-11-20-22-19(23)28-10-14-15(17(25)27-2)16(12-6-4-3-5-7-12)21-18(26)24(14)13-8-9-13/h3-7,11,13,16H,8-10H2,1-2H3,(H,21,26)