1-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-6-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H13ClN4O2S MolecularWeight: 336.79662

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=CNN(C2=N1)CC(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CSC1=NC(=O)C2=CNN(C2=N1)CC(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C14H13ClN4O2S/c1-22-14-17-12-10(13(21)18-14)6-16-19(12)7-11(20)8-2-4-9(15)5-3-8/h2-6,11,16,20H,7H2,1H3