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

Systemtic Name: 1,3-dimethyl-5-[(4-nitrophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(4-nitrophenyl)methyl]-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(4-nitrophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(4-nitrophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(4-nitrobenzyl)-5-[2-(4-pyridyl)ethyl]barbituric acid Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=NC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=NC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-22-17(25)20(18(26)23(2)19(22)27,10-7-14-8-11-21-12-9-14)13-15-3-5-16(6-4-15)24(28)29/h3-6,8-9,11-12H,7,10,13H2,1-2H3