1-butyl-5-[[[1-(phenylmethyl)piperidin-4-yl]amino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-butyl-5-[[[1-(phenylmethyl)piperidin-4-yl]amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[(1-benzyl-4-piperidyl)amino]methylene]-1-butyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[[[1-(phenylmethyl)-4-piperidinyl]amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-butyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(1-benzyl-4-piperidyl)amino]methylene]-1-butyl-barbituric acid Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2CCN(CC2)CC3=CC=CC=C3)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=CNC2CCN(CC2)CC3=CC=CC=C3)C(=O)NC1=O

InChI

InChI=1S/C21H28N4O3/c1-2-3-11-25-20(27)18(19(26)23-21(25)28)14-22-17-9-12-24(13-10-17)15-16-7-5-4-6-8-16/h4-8,14,17,22H,2-3,9-13,15H2,1H3,(H,23,26,28)