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

Systemtic Name: 1-(4-chlorophenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-chlorophenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-(pentylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-chlorophenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(amylthio)-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)Cl

InChI

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