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

Systemtic Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-methoxypropylamino)-1,3-dimethyl-xanthine Formula: C20H27N5O5 MolecularWeight: 417.45888

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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=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O5/c1-23-17-16(18(27)24(2)20(23)28)25(19(22-17)21-10-7-11-29-3)12-14(26)13-30-15-8-5-4-6-9-15/h4-6,8-9,14,26H,7,10-13H2,1-3H3,(H,21,22)/t14-/m1/s1