N-[4-(butylamino)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloranyl-ethanamide

Systemtic Name: N-[4-(butylamino)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloranyl-ethanamide Openeye Name: N-[4-(butylamino)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloro-acetamide CAS Name: N-[4-(butylamino)-1-methyl-6-(methylthio)-3-pyrazolo[3,4-d]pyrimidinyl]-2-chloroacetamide IUPAC Name: N-[4-(butylamino)-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-yl]-2-chloroacetamide Traditional Name: N-[4-(butylamino)-1-methyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloro-acetamide Formula: C13H19ClN6OS MolecularWeight: 342.84756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C(=NN2C)NC(=O)CCl)SC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C(=NN2C)NC(=O)CCl)SC

InChI

InChI=1S/C13H19ClN6OS/c1-4-5-6-15-10-9-11(16-8(21)7-14)19-20(2)12(9)18-13(17-10)22-3/h4-7H2,1-3H3,(H,15,17,18)(H,16,19,21)