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

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C21H16BrN7O3 MolecularWeight: 494.30084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC(=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C21H16BrN7O3/c1-28-17-16(19(31)25-21(28)32)29(10-11-5-4-6-12(22)9-11)20(24-17)27-26-15-13-7-2-3-8-14(13)23-18(15)30/h2-9H,10H2,1H3,(H,24,27)(H,23,26,30)(H,25,31,32)