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

Systemtic Name: 1-(4-chlorophenyl)-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-allylsulfanyl-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-(prop-2-enylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-chlorophenyl)-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(allylthio)-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN4OS/c1-2-7-21-14-17-12-11(13(20)18-14)8-16-19(12)10-5-3-9(15)4-6-10/h2-6,8,16H,1,7H2