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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3-iodanylphenyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3-iodophenyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-iodophenyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-iodophenyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(3-iodophenyl)-1,3-dimethyl-xanthine Formula: C20H15ClFIN4O2 MolecularWeight: 524.714573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClFIN4O2/c1-25-18-16(19(28)26(2)20(25)29)27(10-13-14(21)7-4-8-15(13)22)17(24-18)11-5-3-6-12(23)9-11/h3-9H,10H2,1-2H3