8-(2-hydroxyethylamino)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H25N5O6 MolecularWeight: 419.4317

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC(COC3=CC=C(C=C3)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)C[C@H](COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C19H25N5O6/c1-22-16-15(17(27)23(2)19(22)28)24(18(21-16)20-8-9-25)10-12(26)11-30-14-6-4-13(29-3)5-7-14/h4-7,12,25-26H,8-11H2,1-3H3,(H,20,21)/t12-/m1/s1