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

Systemtic Name: 2-[[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethylazanium Traditional Name: 2-[[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium Formula: C18H24ClN6+ MolecularWeight: 359.87636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN6/c1-4-24(5-2)9-8-20-17-15-11-23-25(18(15)22-12-21-17)14-7-6-13(3)16(19)10-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,21,22)/p+1