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

Systemtic Name: (3,5-dimethylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 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 (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)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 (3,5-dimethylbenzyl) ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-9-4-10(2)6-12(5-9)8-19-14(18)13-7-16-15(20)17-11(13)3/h4-6H,7-8H2,1-3H3,(H2,16,17,20)