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

Systemtic Name: 1,3-dimethyl-7-[(2R)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-propoxy-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-propoxypurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-propoxypurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-propoxy-xanthine Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCOC1=NC2=C(N1C[C@H](COC3=CC=CC=C3C)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26N4O5/c1-5-10-28-19-21-17-16(18(26)23(4)20(27)22(17)3)24(19)11-14(25)12-29-15-9-7-6-8-13(15)2/h6-9,14,25H,5,10-12H2,1-4H3/t14-/m1/s1