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

Systemtic Name: (3,5-dimethylphenyl)methyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3,5-dimethylbenzyl) ester Formula: C16H19FN2O2S MolecularWeight: 322.397663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=C(NC(=S)NC2CF)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=C(NC(=S)NC2CF)C)C

InChI

InChI=1S/C16H19FN2O2S/c1-9-4-10(2)6-12(5-9)8-21-15(20)14-11(3)18-16(22)19-13(14)7-17/h4-6,13H,7-8H2,1-3H3,(H2,18,19,22)