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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-naphthalen-2-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-(2-naphthyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-naphthalenyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-naphthalen-2-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-(2-naphthyl)xanthine Formula: C24H18ClFN4O2 MolecularWeight: 448.876723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C24H18ClFN4O2/c1-28-22-20(23(31)29(2)24(28)32)30(13-17-18(25)8-5-9-19(17)26)21(27-22)16-11-10-14-6-3-4-7-15(14)12-16/h3-12H,13H2,1-2H3