6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(1,3-diphenylpyrazol-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H20N6OS MolecularWeight: 476.5523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H20N6OS/c34-26-23-16-28-33(22-14-8-3-9-15-22)25(23)29-27(30-26)35-18-20-17-32(21-12-6-2-7-13-21)31-24(20)19-10-4-1-5-11-19/h1-17,28H,18H2