6-phenacylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-phenacylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-phenacylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(phenacylthio)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-phenacylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(phenacylthio)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H13F3N4O2S MolecularWeight: 430.40303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H13F3N4O2S/c21-20(22,23)13-7-4-8-14(9-13)27-18(29)15-10-24-26-17(15)25-19(27)30-11-16(28)12-5-2-1-3-6-12/h1-10H,11H2,(H,24,26)