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

Systemtic Name: 7-[3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C18H22N4O5/c1-4-26-13-5-7-14(8-6-13)27-10-12(23)9-22-11-19-16-15(22)17(24)21(3)18(25)20(16)2/h5-8,11-12,23H,4,9-10H2,1-3H3