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

Systemtic Name: 1-(4-iodophenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-iodophenyl)-5,5-bis[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-iodophenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-iodophenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-iodophenyl)-5,5-bis[2-(4-pyridyl)ethyl]barbituric acid Formula: C24H21IN4O3 MolecularWeight: 540.35301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4)I

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(C(=O)NC2=O)(CCC3=CC=NC=C3)CCC4=CC=NC=C4)I

InChI

InChI=1S/C24H21IN4O3/c25-19-1-3-20(4-2-19)29-22(31)24(21(30)28-23(29)32,11-5-17-7-13-26-14-8-17)12-6-18-9-15-27-16-10-18/h1-4,7-10,13-16H,5-6,11-12H2,(H,28,30,32)