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

Systemtic Name: 1,5-diphenyl-3-(phenylmethylsulfanyl)-6-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzylsulfanyl-1,5-diphenyl-6-(3-pyridylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1,5-diphenyl-3-(phenylmethylthio)-6-(3-pyridinylmethylamino)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-benzylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzylthio)-1,5-diphenyl-6-(3-pyridylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one Formula: C30H24N6OS MolecularWeight: 516.61616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C3=C2C(=O)N(C(=N3)NCC4=CN=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C3=C2C(=O)N(C(=N3)NCC4=CN=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H24N6OS/c37-29-26-27(33-30(32-20-23-13-10-18-31-19-23)35(29)24-14-6-2-7-15-24)36(25-16-8-3-9-17-25)34-28(26)38-21-22-11-4-1-5-12-22/h1-19H,20-21H2,(H,32,33)