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

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-[3-(1-imidazolyl)propylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-xanthine Formula: C23H29N7O5 MolecularWeight: 483.52026

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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=C(C=C4)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O5/c1-27-20-19(21(32)28(2)23(27)33)30(22(26-20)25-9-4-11-29-12-10-24-15-29)13-16(31)14-35-18-7-5-17(34-3)6-8-18/h5-8,10,12,15-16,31H,4,9,11,13-14H2,1-3H3,(H,25,26)/t16-/m1/s1