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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-decyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-decyl-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-decyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-decyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-decyl-3-methyl-xanthine Formula: C24H30BrN7O3 MolecularWeight: 544.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H30BrN7O3/c1-3-4-5-6-7-8-9-10-13-32-19-20(31(2)24(35)28-22(19)34)27-23(32)30-29-18-16-14-15(25)11-12-17(16)26-21(18)33/h11-12,14H,3-10,13H2,1-2H3,(H,27,30)(H,26,29,33)(H,28,34,35)