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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-heptyl-3-methyl-xanthine Formula: C21H24BrN7O3 MolecularWeight: 502.36436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H24BrN7O3/c1-3-4-5-6-7-10-29-16-17(28(2)21(32)25-19(16)31)24-20(29)27-26-15-13-11-12(22)8-9-14(13)23-18(15)30/h8-9,11H,3-7,10H2,1-2H3,(H,24,27)(H,23,26,30)(H,25,31,32)