3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-26(13-16-9-5-3-6-10-16)22-24-20-19(21(30)25-23(31)27(20)2)28(22)14-17(29)15-32-18-11-7-4-8-12-18/h3-12,17,29H,13-15H2,1-2H3,(H,25,30,31)