8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-1,3-dimethyl-xanthine Formula: C22H17Br2N7O3 MolecularWeight: 587.22348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Br2N7O3/c1-29-18-17(20(33)30(2)22(29)34)31(10-11-4-3-5-12(23)8-11)21(26-18)28-27-16-14-9-13(24)6-7-15(14)25-19(16)32/h3-9H,10H2,1-2H3,(H,26,28)(H,25,27,32)