ethyl 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-6-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[(4-tosylpiperazino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H30N4O5S/c1-3-34-24(30)22-21(26-25(31)27-23(22)19-7-5-4-6-8-19)17-28-13-15-29(16-14-28)35(32,33)20-11-9-18(2)10-12-20/h4-12,23H,3,13-17H2,1-2H3,(H2,26,27,31)