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

Systemtic Name: 1-(4-chlorophenyl)-9-ethyl-2-propylsulfanyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-9-ethyl-2-propylsulfanyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-9-ethyl-2-(propylthio)-6-purinone IUPAC Name: 1-(4-chlorophenyl)-9-ethyl-2-propylsulfanylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-9-ethyl-2-(propylthio)purin-6-one Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)N=CN2CC

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)N=CN2CC

InChI

InChI=1S/C16H17ClN4OS/c1-3-9-23-16-19-14-13(18-10-20(14)4-2)15(22)21(16)12-7-5-11(17)6-8-12/h5-8,10H,3-4,9H2,1-2H3