ethyl 4-(2-bromophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-bromophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-bromophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-bromophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-bromophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19BrN2O2S MolecularWeight: 383.30326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=CC=C2Br)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=CC=CC=C2Br)C(=O)OCC

InChI

InChI=1S/C16H19BrN2O2S/c1-3-7-12-13(15(20)21-4-2)14(19-16(22)18-12)10-8-5-6-9-11(10)17/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,18,19,22)