5-azanyl-6-[(3-fluorophenyl)amino]-1-phenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-azanyl-6-[(3-fluorophenyl)amino]-1-phenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-amino-3-benzylsulfanyl-6-(3-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-amino-6-(3-fluoroanilino)-1-phenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-amino-3-benzylsulfanyl-6-(3-fluoroanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-amino-3-(benzylthio)-6-(3-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H19FN6OS MolecularWeight: 458.510663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C3=C2C(=O)N(C(=N3)NC4=CC(=CC=C4)F)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C3=C2C(=O)N(C(=N3)NC4=CC(=CC=C4)F)N)C5=CC=CC=C5

InChI

InChI=1S/C24H19FN6OS/c25-17-10-7-11-18(14-17)27-24-28-21-20(23(32)30(24)26)22(33-15-16-8-3-1-4-9-16)29-31(21)19-12-5-2-6-13-19/h1-14H,15,26H2,(H,27,28)