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

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C21H27N5O6/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-8-10-31-11-9-25)12-14(27)13-32-16-6-4-15(30-3)5-7-16/h4-7,14,27H,8-13H2,1-3H3