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

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-methoxypropylamino)-1,3-dimethyl-xanthine Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O6/c1-24-18-17(19(28)25(2)21(24)29)26(20(23-18)22-10-5-11-30-3)12-14(27)13-32-16-8-6-15(31-4)7-9-16/h6-9,14,27H,5,10-13H2,1-4H3,(H,22,23)/t14-/m1/s1