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

Systemtic Name: 2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C13H23N6S+ MolecularWeight: 295.42692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N6S/c1-4-20-13-17-11(15-7-9(2)3)10-8-16-19(6-5-14)12(10)18-13/h8-9H,4-7,14H2,1-3H3,(H,15,17,18)/p+1