4-[(6-chloranylpyridin-3-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(6-chloranylpyridin-3-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(6-chloro-3-pyridyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(6-chloro-3-pyridinyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(6-chloropyridin-3-yl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(6-chloro-3-pyridyl)methylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C12H10ClN5S MolecularWeight: 291.7593

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=CN=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C12H10ClN5S/c1-18-11-9(5-17-18)12(16-7-15-11)19-6-8-2-3-10(13)14-4-8/h2-5,7H,6H2,1H3