6-(2-azanylpyrimidin-5-yl)-5-(4-chlorophenyl)-3-methylsulfonyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(2-azanylpyrimidin-5-yl)-5-(4-chlorophenyl)-3-methylsulfonyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(2-aminopyrimidin-5-yl)-5-(4-chlorophenyl)-3-methylsulfonyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2-amino-5-pyrimidinyl)-5-(4-chlorophenyl)-3-methylsulfonyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 6-(2-aminopyrimidin-5-yl)-5-(4-chlorophenyl)-3-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(2-aminopyrimidin-5-yl)-5-(4-chlorophenyl)-3-mesyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H16ClN7O3S MolecularWeight: 493.92554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN(C2=C1C(=O)N(C(=N2)C3=CN=C(N=C3)N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=NN(C2=C1C(=O)N(C(=N2)C3=CN=C(N=C3)N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H16ClN7O3S/c1-34(32,33)20-17-19(30(28-20)16-5-3-2-4-6-16)27-18(13-11-25-22(24)26-12-13)29(21(17)31)15-9-7-14(23)8-10-15/h2-12H,1H3,(H2,24,25,26)