1-methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[[4-(trifluoromethyl)phenyl]methylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[[4-(trifluoromethyl)benzyl]thio]pyrazolo[3,4-d]pyrimidine Formula: C14H11F3N4S MolecularWeight: 324.32415

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C14H11F3N4S/c1-21-12-11(6-20-21)13(19-8-18-12)22-7-9-2-4-10(5-3-9)14(15,16)17/h2-6,8H,7H2,1H3