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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C23H20BrN7O5 MolecularWeight: 554.3528

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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)CC(COC5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC(COC5=CC=CC=C5)O

InChI

InChI=1S/C23H20BrN7O5/c1-30-19-18(21(34)27-23(30)35)31(10-13(32)11-36-14-5-3-2-4-6-14)22(26-19)29-28-17-15-9-12(24)7-8-16(15)25-20(17)33/h2-9,13,32H,10-11H2,1H3,(H,26,29)(H,25,28,33)(H,27,34,35)