1-phenyl-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-benzylsulfanyl-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-(phenylmethylthio)-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(benzylthio)-1-phenyl-6-(trifluoromethyl)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)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(F)(F)F

InChI

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