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

Systemtic Name: 8-chloranyl-7-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-acetyl-2-ethoxy-phenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-acetyl-2-ethoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-acetyl-2-ethoxyphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-acetyl-2-ethoxy-benzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H19ClN4O4/c1-5-27-13-7-6-11(10(2)24)8-12(13)9-23-14-15(20-17(23)19)21(3)18(26)22(4)16(14)25/h6-8H,5,9H2,1-4H3