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

Systemtic Name: 8-chloranyl-7-[(5-ethanoyl-2-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-acetyl-2-methoxy-phenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-acetyl-2-methoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-acetyl-2-methoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-acetyl-2-methoxy-benzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C17H17ClN4O4 MolecularWeight: 376.79428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H17ClN4O4/c1-9(23)10-5-6-12(26-4)11(7-10)8-22-13-14(19-16(22)18)20(2)17(25)21(3)15(13)24/h5-7H,8H2,1-4H3