7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-piperidino-xanthine Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C21H27N5O5/c1-24-18-17(19(28)23-21(24)29)26(20(22-18)25-10-4-3-5-11-25)12-14(27)13-31-16-8-6-15(30-2)7-9-16/h6-9,14,27H,3-5,10-13H2,1-2H3,(H,23,28,29)