7-[(4-chlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-[(2-fluorophenyl)methylthio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[(2-fluorobenzyl)thio]-1,3-dimethyl-xanthine Formula: C21H18ClFN4O2S MolecularWeight: 444.909623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClFN4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-7-9-15(22)10-8-13)20(24-18)30-12-14-5-3-4-6-16(14)23/h3-10H,11-12H2,1-2H3