1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-[2-(3-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-[2-(3-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-[2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-[N'-(3-pyridylmethylene)hydrazino]xanthine Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CN=CC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CN=CC=C3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C22H23N7O4/c1-27-19-18(20(31)28(2)22(27)32)29(13-16(30)14-33-17-8-4-3-5-9-17)21(25-19)26-24-12-15-7-6-10-23-11-15/h3-12,16,30H,13-14H2,1-2H3,(H,25,26)