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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-hexyl-3-methyl-xanthine Formula: C20H22BrN7O3 MolecularWeight: 488.33778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H22BrN7O3/c1-3-4-5-6-9-28-15-16(27(2)20(31)24-18(15)30)23-19(28)26-25-14-12-10-11(21)7-8-13(12)22-17(14)29/h7-8,10H,3-6,9H2,1-2H3,(H,23,26)(H,22,25,29)(H,24,30,31)