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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-[3-(4-bromophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-[3-(4-bromophenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C23H19Br2N7O5 MolecularWeight: 633.24886

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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)Br)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)Br)O

InChI

InChI=1S/C23H19Br2N7O5/c1-31-19-18(21(35)28-23(31)36)32(9-13(33)10-37-14-5-2-11(24)3-6-14)22(27-19)30-29-17-15-8-12(25)4-7-16(15)26-20(17)34/h2-8,13,33H,9-10H2,1H3,(H,27,30)(H,26,29,34)(H,28,35,36)