8-(3-imidazol-1-ylpropylamino)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-[3-(1-imidazolyl)propylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-3-methyl-xanthine Formula: C22H27N7O5 MolecularWeight: 469.49368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)C[C@H](COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C22H27N7O5/c1-27-19-18(20(31)26-22(27)32)29(21(25-19)24-8-3-10-28-11-9-23-14-28)12-15(30)13-34-17-6-4-16(33-2)5-7-17/h4-7,9,11,14-15,30H,3,8,10,12-13H2,1-2H3,(H,24,25)(H,26,31,32)/t15-/m1/s1