2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C15H18ClN6+ MolecularWeight: 317.79662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN6/c1-21(2)8-7-17-14-13-9-20-22(15(13)19-10-18-14)12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)/p+1