(phenylmethyl) 4-[2,6-bis(fluoranyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[2,6-bis(fluoranyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(2,6-difluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,6-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,6-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,6-difluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C19H16F2N2O2S MolecularWeight: 374.404346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC=C2F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C=CC=C2F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H16F2N2O2S/c1-11-15(18(24)25-10-12-6-3-2-4-7-12)17(23-19(26)22-11)16-13(20)8-5-9-14(16)21/h2-9,17H,10H2,1H3,(H2,22,23,26)