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

Systemtic Name: 3-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethylazanium Traditional Name: 3-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-ammonium Formula: C20H29N6+ MolecularWeight: 353.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC=NC2=C1C=NN2C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC=NC2=C1C=NN2C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H28N6/c1-5-25(6-2)11-7-10-21-19-18-13-24-26(20(18)23-14-22-19)17-9-8-15(3)16(4)12-17/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,21,22,23)/p+1