1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5/c1-22-16-15(17(27)23(2)19(22)28)24(18(21-16)20-9-6-10-25)11-13(26)12-29-14-7-4-3-5-8-14/h3-5,7-8,13,25-26H,6,9-12H2,1-2H3,(H,20,21)/t13-/m1/s1