2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylazanium

Systemtic Name: 2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylazanium Openeye Name: 2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylazanium Traditional Name: 2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C13H21N6S+ MolecularWeight: 293.41104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC[NH3+])C(=N1)N3CCCCC3

Isomeric SMILES

CSC1=NC2=C(C=NN2CC[NH3+])C(=N1)N3CCCCC3

InChI

InChI=1S/C13H20N6S/c1-20-13-16-11(18-6-3-2-4-7-18)10-9-15-19(8-5-14)12(10)17-13/h9H,2-8,14H2,1H3/p+1