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

Systemtic Name: 2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[4-(isopropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[6-(methylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[4-(isopropylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C11H19N6S+ MolecularWeight: 267.37376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1C=NN2CC[NH3+])SC

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1C=NN2CC[NH3+])SC

InChI

InChI=1S/C11H18N6S/c1-7(2)14-9-8-6-13-17(5-4-12)10(8)16-11(15-9)18-3/h6-7H,4-5,12H2,1-3H3,(H,14,15,16)/p+1