4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenyl-butan-1-one Openeye Name: 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-phenyl-butan-1-one Formula: C21H17FN4OS MolecularWeight: 392.449283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4OS/c22-16-8-10-17(11-9-16)26-20-18(13-25-26)21(24-14-23-20)28-12-4-7-19(27)15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2