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

Systemtic Name: 2-[4-(propylamino)-6-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[4-(propylamino)-6-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[4-(propylamino)-6-(propylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[4-(propylamino)-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[4-(propylamino)-6-(propylthio)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:

CCCNC1=NC(=NC2=C1C=NN2CC[NH3+])SCCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CC[NH3+])SCCC

InChI

InChI=1S/C13H22N6S/c1-3-6-15-11-10-9-16-19(7-5-14)12(10)18-13(17-11)20-8-4-2/h9H,3-8,14H2,1-2H3,(H,15,17,18)/p+1