5-[(4-nitrophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(4-nitrophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-nitrophenyl)methyl]-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-nitrophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-nitrophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-nitrobenzyl)-5-[2-(4-pyridyl)ethyl]barbituric acid Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c23-15-18(16(24)21-17(25)20-15,8-5-12-6-9-19-10-7-12)11-13-1-3-14(4-2-13)22(26)27/h1-4,6-7,9-10H,5,8,11H2,(H2,20,21,23,24,25)