1-(4-bromophenyl)-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromophenyl)-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-[2-(1H-indol-3-yl)ethyliminomethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-[2-(1H-indol-3-yl)ethyliminomethyl]barbituric acid Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCN=CC3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCN=CC3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O3/c22-14-5-7-15(8-6-14)26-20(28)17(19(27)25-21(26)29)12-23-10-9-13-11-24-18-4-2-1-3-16(13)18/h1-8,11-12,17,24H,9-10H2,(H,25,27,29)