1-(2-methylphenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2-methylphenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[(4-methylpiperazin-1-yl)amino]methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-5-[[(4-methyl-1-piperazinyl)amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(4-methylpiperazino)amino]methylene]-1-(o-tolyl)barbituric acid Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNN3CCN(CC3)C)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNN3CCN(CC3)C)C(=O)NC2=O

InChI

InChI=1S/C17H21N5O3/c1-12-5-3-4-6-14(12)22-16(24)13(15(23)19-17(22)25)11-18-21-9-7-20(2)8-10-21/h3-6,11,18H,7-10H2,1-2H3,(H,19,23,25)