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

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-pyridylmethylamino)xanthine Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)C[C@H](COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C22H24N6O5/c1-27-19-18(20(30)26-22(27)31)28(21(25-19)24-11-14-4-3-9-23-10-14)12-15(29)13-33-17-7-5-16(32-2)6-8-17/h3-10,15,29H,11-13H2,1-2H3,(H,24,25)(H,26,30,31)/t15-/m1/s1