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

Systemtic Name: 1-hexyl-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-hexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-hexyl-5-[[[1-(phenylmethyl)-4-piperidinyl]amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(1-benzyl-4-piperidyl)amino]methylene]-1-hexyl-barbituric acid Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNC2CCN(CC2)CC3=CC=CC=C3)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CNC2CCN(CC2)CC3=CC=CC=C3)C(=O)NC1=O

InChI

InChI=1S/C23H32N4O3/c1-2-3-4-8-13-27-22(29)20(21(28)25-23(27)30)16-24-19-11-14-26(15-12-19)17-18-9-6-5-7-10-18/h5-7,9-10,16,19,24H,2-4,8,11-15,17H2,1H3,(H,25,28,30)