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

Systemtic Name: (phenylmethyl) 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C14H15FN2O2S MolecularWeight: 294.344503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H15FN2O2S/c1-9-12(11(7-15)17-14(20)16-9)13(18)19-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,16,17,20)