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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C(C)NCCCN3CCCCC3)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C(C)NCCCN3CCCCC3)C(=O)NC2=O

InChI

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