ethyl 1-phenyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-phenyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-phenyl-4-(4-phenylpiperazin-1-yl)-6-thioxo-pyrimidine-5-carboxylate CAS Name: 1-phenyl-4-(4-phenyl-1-piperazinyl)-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-phenyl-4-(4-phenylpiperazino)-6-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H24N4O2S MolecularWeight: 420.52726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN(C1=S)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=CN(C1=S)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-2-29-23(28)20-21(24-17-27(22(20)30)19-11-7-4-8-12-19)26-15-13-25(14-16-26)18-9-5-3-6-10-18/h3-12,17H,2,13-16H2,1H3