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

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C20H25N5O5 MolecularWeight: 415.443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C20H25N5O5/c1-22-17-16(18(27)23(2)20(22)28)25(19(21-17)24-8-10-29-11-9-24)12-14(26)13-30-15-6-4-3-5-7-15/h3-7,14,26H,8-13H2,1-2H3/t14-/m1/s1