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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCCN3CCNCC3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCCN3CCNCC3

InChI

InChI=1S/C20H27N5O3/c1-2-16(22-10-13-24-11-8-21-9-12-24)17-18(26)23-20(28)25(19(17)27)14-15-6-4-3-5-7-15/h3-7,21-22H,2,8-14H2,1H3,(H,23,26,28)