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

Systemtic Name: 7-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-[3-(4-bromophenoxy)-2-hydroxy-propyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-[3-(4-bromophenoxy)-2-hydroxy-propyl]-8-[N'-(2-ketoindol-3-yl)hydrazino]-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=CC=CC4=NC3=O)CC(COC5=CC=C(C=C5)Br)O

Isomeric SMILES

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

InChI

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