1-(2-methylphenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2-methylphenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(o-tolyl)-5,5-bis[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(o-tolyl)-5,5-bis[2-(4-pyridyl)ethyl]barbituric acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4

InChI

InChI=1S/C25H24N4O3/c1-18-4-2-3-5-21(18)29-23(31)25(22(30)28-24(29)32,12-6-19-8-14-26-15-9-19)13-7-20-10-16-27-17-11-20/h2-5,8-11,14-17H,6-7,12-13H2,1H3,(H,28,30,32)