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

Systemtic Name: ethyl 1-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-phenylpiperazin-1-yl)-6-thioxo-pyrimidine-5-carboxylate CAS Name: 1-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-benzyl-4-(4-phenylpiperazino)-6-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-2-30-24(29)21-22(25-18-28(23(21)31)17-19-9-5-3-6-10-19)27-15-13-26(14-16-27)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3