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

Systemtic Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethylazanium Traditional Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-ammonium Formula: C18H24ClN6+ MolecularWeight: 359.87636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN6/c1-3-24(4-2)10-6-9-20-17-16-12-23-25(18(16)22-13-21-17)15-8-5-7-14(19)11-15/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,20,21,22)/p+1