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

Systemtic Name: (phenylmethyl) 4-(5-bromanyl-2-fluoranyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(5-bromo-2-fluoro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-bromo-2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-bromo-2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(5-bromo-2-fluoro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C19H16BrFN2O2S MolecularWeight: 435.309943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrFN2O2S/c1-11-16(18(24)25-10-12-5-3-2-4-6-12)17(23-19(26)22-11)14-9-13(20)7-8-15(14)21/h2-9,17H,10H2,1H3,(H2,22,23,26)