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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C3C(=NC=NC3=S)N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C3C(=NC=NC3=S)N2)C(F)(F)F

InChI

InChI=1S/C13H9F3N4S/c14-13(15,16)10-4-2-1-3-8(10)5-20-6-9-11(19-20)17-7-18-12(9)21/h1-4,6-7H,5H2,(H,17,18,19,21)