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

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-isopropoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-isopropoxypropylamino)-1,3-dimethyl-xanthine Formula: C23H33N5O6 MolecularWeight: 475.53802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H33N5O6/c1-15(2)33-12-6-11-24-22-25-20-19(21(30)27(4)23(31)26(20)3)28(22)13-16(29)14-34-18-9-7-17(32-5)8-10-18/h7-10,15-16,29H,6,11-14H2,1-5H3,(H,24,25)/t16-/m1/s1