1-(phenylmethyl)-5-[1-(3-piperidin-1-ylpropylamino)ethylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(phenylmethyl)-5-[1-(3-piperidin-1-ylpropylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[1-[3-(1-piperidyl)propylamino]ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(phenylmethyl)-5-[1-[3-(1-piperidinyl)propylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[1-(3-piperidin-1-ylpropylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[1-(3-piperidinopropylamino)ethylidene]barbituric acid Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCCCN3CCCCC3

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCCCN3CCCCC3

InChI

InChI=1S/C21H28N4O3/c1-16(22-11-8-14-24-12-6-3-7-13-24)18-19(26)23-21(28)25(20(18)27)15-17-9-4-2-5-10-17/h2,4-5,9-10,22H,3,6-8,11-15H2,1H3,(H,23,26,28)