(phenylmethyl) 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2S/c1-13-8-10-16(11-9-13)18-17(14(2)21-20(25)22-18)19(23)24-12-15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H2,21,22,25)