7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(3-methoxyphenoxy)-1,3-dimethyl-xanthine Formula: C21H18ClFN4O4 MolecularWeight: 444.843423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=CC=C3)OC)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=CC=C3)OC)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H18ClFN4O4/c1-25-18-17(19(28)26(2)21(25)29)27(11-14-15(22)8-5-9-16(14)23)20(24-18)31-13-7-4-6-12(10-13)30-3/h4-10H,11H2,1-3H3