1,3-dimethyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-naphthyloxy)propyl]-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-1,3-dimethyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-naphthoxy)propyl]-1,3-dimethyl-8-pyrrolidino-xanthine Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(COC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C24H27N5O4/c1-26-21-20(22(31)27(2)24(26)32)29(23(25-21)28-11-5-6-12-28)14-18(30)15-33-19-10-9-16-7-3-4-8-17(16)13-19/h3-4,7-10,13,18,30H,5-6,11-12,14-15H2,1-2H3