1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-9-methyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-9-methyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-9-methyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylthio]-9-methyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-9-methylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[(3-fluorobenzyl)thio]-9-methyl-purin-6-one Formula: C19H14ClFN4OS MolecularWeight: 400.857063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=CC=C4)F

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C19H14ClFN4OS/c1-24-11-22-16-17(24)23-19(27-10-12-3-2-4-14(21)9-12)25(18(16)26)15-7-5-13(20)6-8-15/h2-9,11H,10H2,1H3