4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2-chloro-6-fluorophenyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C13H10ClFN4S MolecularWeight: 308.761703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C13H10ClFN4S/c1-19-12-8(5-18-19)13(17-7-16-12)20-6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3