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

Systemtic Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethylazanium Traditional Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium Formula: C17H22ClN6+ MolecularWeight: 345.84978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6/c1-3-23(4-2)9-8-19-16-15-11-22-24(17(15)21-12-20-16)14-7-5-6-13(18)10-14/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,20,21)/p+1