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

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylamino)-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-(2-morpholinoethylamino)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-[2-(4-morpholinyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-(2-morpholinoethylamino)xanthine Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCOCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCOCC3)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C22H30N6O5/c1-25-19-18(20(30)26(2)22(25)31)28(14-16(29)15-33-17-6-4-3-5-7-17)21(24-19)23-8-9-27-10-12-32-13-11-27/h3-7,16,29H,8-15H2,1-2H3,(H,23,24)/t16-/m0/s1