3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methylsulfanyl-1,5-diphenyl-6-(3-pyridylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-(methylthio)-1,5-diphenyl-6-(3-pyridinylmethylamino)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(methylthio)-1,5-diphenyl-6-(3-pyridylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H20N6OS MolecularWeight: 440.5202

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C2=C1C(=O)N(C(=N2)NCC3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NN(C2=C1C(=O)N(C(=N2)NCC3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H20N6OS/c1-32-22-20-21(30(28-22)19-12-6-3-7-13-19)27-24(26-16-17-9-8-14-25-15-17)29(23(20)31)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,26,27)