7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[N'-(2-ketoindol-3-yl)hydrazino]-1,3-dimethyl-xanthine Formula: C22H18BrN7O3 MolecularWeight: 508.32742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC(=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C22H18BrN7O3/c1-28-18-17(20(32)29(2)22(28)33)30(11-12-6-5-7-13(23)10-12)21(25-18)27-26-16-14-8-3-4-9-15(14)24-19(16)31/h3-10H,11H2,1-2H3,(H,25,27)(H,24,26,31)