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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-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-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-3-methyl-xanthine Formula: C21H16BrN7O3 MolecularWeight: 494.30084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC5=CC=CC=C5

InChI

InChI=1S/C21H16BrN7O3/c1-28-17-16(19(31)25-21(28)32)29(10-11-5-3-2-4-6-11)20(24-17)27-26-15-13-9-12(22)7-8-14(13)23-18(15)30/h2-9H,10H2,1H3,(H,24,27)(H,23,26,30)(H,25,31,32)