7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-5-25-13-8-7-12(9-14(13)26-6-2)10-22-11-19-16-15(22)17(23)21(4)18(24)20(16)3/h7-9,11H,5-6,10H2,1-4H3