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

Systemtic Name: 1-(phenylmethyl)-5-[1-(pyridin-3-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[1-(3-pyridylmethylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(phenylmethyl)-5-[1-(3-pyridinylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[1-(pyridin-3-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[1-(3-pyridylmethylamino)propylidene]barbituric acid Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCC3=CN=CC=C3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCC3=CN=CC=C3

InChI

InChI=1S/C20H20N4O3/c1-2-16(22-12-15-9-6-10-21-11-15)17-18(25)23-20(27)24(19(17)26)13-14-7-4-3-5-8-14/h3-11,22H,2,12-13H2,1H3,(H,23,25,27)