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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-ethyl-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-ethyl-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-ethyl-3-methyl-xanthine Formula: C23H20BrN7O3 MolecularWeight: 522.354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C23H20BrN7O3/c1-3-30-18-19(29(2)23(34)31(21(18)33)12-13-7-5-4-6-8-13)26-22(30)28-27-17-15-11-14(24)9-10-16(15)25-20(17)32/h4-11H,3,12H2,1-2H3,(H,26,28)(H,25,27,32)