8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-[2-[(3-hydroxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(3-hydroxybenzylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C22H22N6O5 MolecularWeight: 450.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)O)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)O)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C22H22N6O5/c1-27-19-18(20(31)25-22(27)32)28(12-16(30)13-33-17-8-3-2-4-9-17)21(24-19)26-23-11-14-6-5-7-15(29)10-14/h2-11,16,29-30H,12-13H2,1H3,(H,24,26)(H,25,31,32)