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

Systemtic Name: 3-[[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethylazanium Traditional Name: 3-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-diethyl-ammonium Formula: C19H26ClN6+ MolecularWeight: 373.90294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6/c1-4-25(5-2)10-6-9-21-18-16-12-24-26(19(16)23-13-22-18)17-11-15(20)8-7-14(17)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,21,22,23)/p+1