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

Systemtic Name: 1-(2-methylphenyl)-5-[1-(3-piperidin-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(o-tolyl)-5-[1-[3-(1-piperidyl)propylamino]propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-5-[1-[3-(1-piperidinyl)propylamino]propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-5-[1-(3-piperidin-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(o-tolyl)-5-[1-(3-piperidinopropylamino)propylidene]barbituric acid Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)NCCCN3CCCCC3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)NCCCN3CCCCC3

InChI

InChI=1S/C22H30N4O3/c1-3-17(23-12-9-15-25-13-7-4-8-14-25)19-20(27)24-22(29)26(21(19)28)18-11-6-5-10-16(18)2/h5-6,10-11,23H,3-4,7-9,12-15H2,1-2H3,(H,24,27,29)