8-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-[(4-chlorophenyl)methylene]hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(4-chlorobenzylidene)hydrazino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C22H21ClN6O4 MolecularWeight: 468.89294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN6O4/c1-28-19-18(20(31)26-22(28)32)29(12-16(30)13-33-17-5-3-2-4-6-17)21(25-19)27-24-11-14-7-9-15(23)10-8-14/h2-11,16,30H,12-13H2,1H3,(H,25,27)(H,26,31,32)