7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H](CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

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