1-(2-methylphenyl)-5-[1-(2-piperazin-1-ylethylamino)propylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2-methylphenyl)-5-[1-(2-piperazin-1-ylethylamino)propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(o-tolyl)-5-[1-(2-piperazin-1-ylethylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-5-[1-[2-(1-piperazinyl)ethylamino]propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-5-[1-(2-piperazin-1-ylethylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(o-tolyl)-5-[1-(2-piperazinoethylamino)propylidene]barbituric acid Formula: C20H27N5O3 MolecularWeight: 385.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)NCCN3CCNCC3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)NCCN3CCNCC3

InChI

InChI=1S/C20H27N5O3/c1-3-15(22-10-13-24-11-8-21-9-12-24)17-18(26)23-20(28)25(19(17)27)16-7-5-4-6-14(16)2/h4-7,21-22H,3,8-13H2,1-2H3,(H,23,26,28)