2-[[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethylazanium Traditional Name: 2-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium Formula: C18H24ClN6+ MolecularWeight: 359.87636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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