7-[(2R)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC[C@@H](CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C18H22N4O4/c1-11-5-6-12(2)14(7-11)26-9-13(23)8-22-10-19-16-15(22)17(24)21(4)18(25)20(16)3/h5-7,10,13,23H,8-9H2,1-4H3/t13-/m1/s1