7-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-acetyl-2-ethoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-acetyl-2-ethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-acetyl-2-ethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-acetyl-2-ethoxy-benzyl)-1,3-dimethyl-xanthine Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-5-26-14-7-6-12(11(2)23)8-13(14)9-22-10-19-16-15(22)17(24)21(4)18(25)20(16)3/h6-8,10H,5,9H2,1-4H3