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

Systemtic Name: 2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylazanium Openeye Name: 2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethylammonium CAS Name: 2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylazanium Traditional Name: 2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C13H21N6OS+ MolecularWeight: 309.41044

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CC[NH3+])C(=N1)N3CCOCC3

Isomeric SMILES

CCSC1=NC2=C(C=NN2CC[NH3+])C(=N1)N3CCOCC3

InChI

InChI=1S/C13H20N6OS/c1-2-21-13-16-11(18-5-7-20-8-6-18)10-9-15-19(4-3-14)12(10)17-13/h9H,2-8,14H2,1H3/p+1