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

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-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-imidazol-1-ylpropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-[3-(1-imidazolyl)propylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-xanthine Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3C=CN=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3C=CN=C3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C22H27N7O4/c1-26-19-18(20(31)27(2)22(26)32)29(13-16(30)14-33-17-7-4-3-5-8-17)21(25-19)24-9-6-11-28-12-10-23-15-28/h3-5,7-8,10,12,15-16,30H,6,9,11,13-14H2,1-2H3,(H,24,25)/t16-/m1/s1