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

Systemtic Name: 6-(2-chloranylprop-2-enylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(2-chloroallylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2-chloroprop-2-enylthio)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(2-chloroprop-2-enylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(2-chloroallylthio)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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