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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C20H24ClN5O5 MolecularWeight: 449.88806

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN5O5/c1-23-17-16(18(28)24(2)20(23)29)26(19(22-17)25-7-9-30-10-8-25)11-14(27)12-31-15-5-3-13(21)4-6-15/h3-6,14,27H,7-12H2,1-2H3