3-methyl-1-phenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione

Systemtic Name: 3-methyl-1-phenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione Openeye Name: 3-methyl-1-phenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione CAS Name: 3-methyl-1-phenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione IUPAC Name: 3-methyl-1-phenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione Traditional Name: 3-methyl-1-phenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione Formula: C13H9F3N4S MolecularWeight: 310.29757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=S)C(F)(F)F)N(N1)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=NC(=NC2=S)C(F)(F)F)N(N1)C3=CC=CC=C3

InChI

InChI=1S/C13H9F3N4S/c1-7-9-10(17-12(13(14,15)16)18-11(9)21)20(19-7)8-5-3-2-4-6-8/h2-6,19H,1H3