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

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C17H23N6+ MolecularWeight: 311.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6/c1-12-5-6-14(9-13(12)2)23-17-15(10-21-23)16(19-11-20-17)18-7-8-22(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20)/p+1