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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-3-methyl-7-nonyl-xanthine Formula: C23H28BrN7O3 MolecularWeight: 530.41752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H28BrN7O3/c1-3-4-5-6-7-8-9-12-31-18-19(30(2)23(34)27-21(18)33)26-22(31)29-28-17-15-13-14(24)10-11-16(15)25-20(17)32/h10-11,13H,3-9,12H2,1-2H3,(H,26,29)(H,25,28,32)(H,27,33,34)