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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-3-methyl-7-octyl-xanthine Formula: C22H26BrN7O3 MolecularWeight: 516.39094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H26BrN7O3/c1-3-4-5-6-7-8-11-30-17-18(29(2)22(33)26-20(17)32)25-21(30)28-27-16-14-12-13(23)9-10-15(14)24-19(16)31/h9-10,12H,3-8,11H2,1-2H3,(H,25,28)(H,24,27,31)(H,26,32,33)