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

Systemtic Name: 3-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C18H25N6+ MolecularWeight: 325.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6/c1-13-6-7-16(14(2)10-13)24-18-15(11-22-24)17(20-12-21-18)19-8-5-9-23(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,20,21)/p+1