8-[2-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-(5-bromo-1-methyl-2-oxo-indolin-3-ylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[2-(5-bromo-1-methyl-2-oxo-3-indolylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-1-methyl-indolin-3-ylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C24H22BrN7O5 MolecularWeight: 568.37938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=NNC3=NC4=C(N3CC(COC5=CC=CC=C5)O)C(=O)NC(=O)N4C)C1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C(=NNC3=NC4=C(N3CC(COC5=CC=CC=C5)O)C(=O)NC(=O)N4C)C1=O

InChI

InChI=1S/C24H22BrN7O5/c1-30-17-9-8-13(25)10-16(17)18(22(30)35)28-29-23-26-20-19(21(34)27-24(36)31(20)2)32(23)11-14(33)12-37-15-6-4-3-5-7-15/h3-10,14,33H,11-12H2,1-2H3,(H,26,29)(H,27,34,36)