4-[2,4-bis(fluoranyl)phenyl]sulfanyl-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]sulfanyl-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(2,4-difluorophenyl)sulfanyl-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2,4-difluorophenyl)thio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(2,4-difluorophenyl)sulfanyl-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2,4-difluorophenyl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C12H8F2N4S MolecularWeight: 278.280526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC3=C(C=C(C=C3)F)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C12H8F2N4S/c1-18-11-8(5-17-18)12(16-6-15-11)19-10-3-2-7(13)4-9(10)14/h2-6H,1H3