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

Systemtic Name: (3-methylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: m-tolylmethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylbenzyl) ester Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=C(NC(=S)NC2)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=C(NC(=S)NC2)C

InChI

InChI=1S/C14H16N2O2S/c1-9-4-3-5-11(6-9)8-18-13(17)12-7-15-14(19)16-10(12)2/h3-6H,7-8H2,1-2H3,(H2,15,16,19)