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

Systemtic Name: 1-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylsulfanyl]-9-methyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylsulfanyl]-9-methyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylthio]-9-methyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylsulfanyl]-9-methylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylthio]-9-methyl-purin-6-one Formula: C20H16ClFN4OS MolecularWeight: 414.883643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H16ClFN4OS/c1-25-12-23-17-18(25)24-20(28-11-10-13-2-6-15(22)7-3-13)26(19(17)27)16-8-4-14(21)5-9-16/h2-9,12H,10-11H2,1H3