7-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-4-fluoro-phenyl)methyl]-8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-4-fluorophenyl)methyl]-8-[(4-chlorophenyl)thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-4-fluorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-4-fluoro-benzyl)-8-[(4-chlorophenyl)thio]-1,3-dimethyl-xanthine Formula: C20H15Cl2FN4O2S MolecularWeight: 465.328103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)Cl)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)Cl)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C20H15Cl2FN4O2S/c1-25-17-16(18(28)26(2)20(25)29)27(10-11-3-6-13(23)9-15(11)22)19(24-17)30-14-7-4-12(21)5-8-14/h3-9H,10H2,1-2H3