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

Systemtic Name: 6-(4-methylsulfanylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(4-methylsulfanylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methylsulfonyl-6-[4-(methylthio)phenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(4-methylsulfanylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-mesyl-6-[4-(methylthio)phenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC(=O)C3=C(NN(C3=N2)C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC(=O)C3=C(NN(C3=N2)C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C19H16N4O3S2/c1-27-14-10-8-12(9-11-14)16-20-17-15(18(24)21-16)19(28(2,25)26)22-23(17)13-6-4-3-5-7-13/h3-11,22H,1-2H3