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

Systemtic Name: 1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-(3-morpholinopropylamino)xanthine Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C23H32N6O5/c1-26-20-19(21(31)27(2)23(26)32)29(15-17(30)16-34-18-7-4-3-5-8-18)22(25-20)24-9-6-10-28-11-13-33-14-12-28/h3-5,7-8,17,30H,6,9-16H2,1-2H3,(H,24,25)/t17-/m0/s1