8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-3-methyl-xanthine Formula: C28H22BrN7O3 MolecularWeight: 584.42338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NNC4=C5C=C(C=CC5=NC4=O)Br)CC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NNC4=C5C=C(C=CC5=NC4=O)Br)CC6=CC=CC=C6

InChI

InChI=1S/C28H22BrN7O3/c1-34-24-23(26(38)36(28(34)39)16-18-10-6-3-7-11-18)35(15-17-8-4-2-5-9-17)27(31-24)33-32-22-20-14-19(29)12-13-21(20)30-25(22)37/h2-14H,15-16H2,1H3,(H,31,33)(H,30,32,37)