1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(4-propoxyphenoxy)ethyl]xanthine Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

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