7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-morpholinopropylamino)xanthine Formula: C23H32N6O6 MolecularWeight: 488.53678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3CCOCC3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3CCOCC3)C[C@H](COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H32N6O6/c1-27-20-19(21(31)26-23(27)32)29(14-16(30)15-35-18-6-4-17(33-2)5-7-18)22(25-20)24-8-3-9-28-10-12-34-13-11-28/h4-7,16,30H,3,8-15H2,1-2H3,(H,24,25)(H,26,31,32)/t16-/m1/s1