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

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(2-morpholinoethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-[2-(4-morpholinyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(2-morpholinoethylamino)xanthine Formula: C22H30N6O6 MolecularWeight: 474.5102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)C[C@H](COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C22H30N6O6/c1-26-19-18(20(30)25-22(26)31)28(21(24-19)23-7-8-27-9-11-33-12-10-27)13-15(29)14-34-17-5-3-16(32-2)4-6-17/h3-6,15,29H,7-14H2,1-2H3,(H,23,24)(H,25,30,31)/t15-/m1/s1