8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C24H22BrN7O6 MolecularWeight: 584.37878

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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=C(C=C5)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN7O6/c1-31-20-19(22(35)28-24(31)36)32(10-13(33)11-38-15-6-4-14(37-2)5-7-15)23(27-20)30-29-18-16-9-12(25)3-8-17(16)26-21(18)34/h3-9,13,33H,10-11H2,1-2H3,(H,27,30)(H,26,29,34)(H,28,35,36)