1-(4-chlorophenyl)-2-(2-cyclohexylethylsulfanyl)-9-methyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylsulfanyl)-9-methyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylsulfanyl)-9-methyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylthio)-9-methyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylsulfanyl)-9-methylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylthio)-9-methyl-purin-6-one Formula: C20H23ClN4OS MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4CCCCC4

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4CCCCC4

InChI

InChI=1S/C20H23ClN4OS/c1-24-13-22-17-18(24)23-20(27-12-11-14-5-3-2-4-6-14)25(19(17)26)16-9-7-15(21)8-10-16/h7-10,13-14H,2-6,11-12H2,1H3