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

Systemtic Name: 1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-[[3-(trifluoromethyl)benzyl]thio]pyrazolo[3,4-d]pyrimidine Formula: C19H13F3N4S MolecularWeight: 386.39353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N4S/c20-19(21,22)14-6-4-5-13(9-14)11-27-18-16-10-25-26(17(16)23-12-24-18)15-7-2-1-3-8-15/h1-10,12H,11H2