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

Systemtic Name: 3-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C16H20ClN6+ MolecularWeight: 331.8232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCCNC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6/c1-22(2)9-3-8-18-15-14-10-21-23(16(14)20-11-19-15)13-6-4-12(17)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20)/p+1