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

Systemtic Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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