1-(5-chloranyl-2-methyl-phenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(5-chloro-2-methyl-phenyl)-5,5-bis[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(5-chloro-2-methylphenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(5-chloro-2-methylphenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(5-chloro-2-methyl-phenyl)-5,5-bis[2-(4-pyridyl)ethyl]barbituric acid Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4

InChI

InChI=1S/C25H23ClN4O3/c1-17-2-3-20(26)16-21(17)30-23(32)25(22(31)29-24(30)33,10-4-18-6-12-27-13-7-18)11-5-19-8-14-28-15-9-19/h2-3,6-9,12-16H,4-5,10-11H2,1H3,(H,29,31,33)