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

Systemtic Name: 2-[[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C16H20ClN6+ MolecularWeight: 331.8232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NCC[NH+](C)C

InChI

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