1-(4-bromophenyl)-5-(phenylmethyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromophenyl)-5-(phenylmethyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-benzyl-1-(4-bromophenyl)-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-(phenylmethyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-benzyl-1-(4-bromophenyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-benzyl-1-(4-bromophenyl)-5-[2-(4-pyridyl)ethyl]barbituric acid Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)CCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2(C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)CCC4=CC=NC=C4

InChI

InChI=1S/C24H20BrN3O3/c25-19-6-8-20(9-7-19)28-22(30)24(21(29)27-23(28)31,16-18-4-2-1-3-5-18)13-10-17-11-14-26-15-12-17/h1-9,11-12,14-15H,10,13,16H2,(H,27,29,31)