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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-lauryl-3-methyl-xanthine Formula: C26H34BrN7O3 MolecularWeight: 572.49726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H34BrN7O3/c1-3-4-5-6-7-8-9-10-11-12-15-34-21-22(33(2)26(37)30-24(21)36)29-25(34)32-31-20-18-16-17(27)13-14-19(18)28-23(20)35/h13-14,16H,3-12,15H2,1-2H3,(H,29,32)(H,28,31,35)(H,30,36,37)