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

Systemtic Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylsulfanyl)-9-ethyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylsulfanyl)-9-ethyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylthio)-9-ethyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylsulfanyl)-9-ethylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-(2-cyclohexylethylthio)-9-ethyl-purin-6-one Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCCC4CCCCC4

InChI

InChI=1S/C21H25ClN4OS/c1-2-25-14-23-18-19(25)24-21(28-13-12-15-6-4-3-5-7-15)26(20(18)27)17-10-8-16(22)9-11-17/h8-11,14-15H,2-7,12-13H2,1H3