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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=CC5=CC=CC=C54)O

InChI

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