3-[[5,6-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[5,6-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[5,6-dimethyl-2-(m-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[5,6-dimethyl-2-(3-methylphenyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[5,6-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethylazanium Traditional Name: 3-[[5,6-dimethyl-2-(m-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethyl-ammonium Formula: C22H32N5+ MolecularWeight: 366.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=C(C(=NC2=CC(=NN21)C3=CC(=CC=C3)C)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=C(C(=NC2=CC(=NN21)C3=CC(=CC=C3)C)C)C

InChI

InChI=1S/C22H31N5/c1-6-26(7-2)13-9-12-23-22-17(4)18(5)24-21-15-20(25-27(21)22)19-11-8-10-16(3)14-19/h8,10-11,14-15,23H,6-7,9,12-13H2,1-5H3/p+1