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

Systemtic Name: 3-[[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C17H22ClN6+ MolecularWeight: 345.84978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6/c1-12-5-6-13(9-15(12)18)24-17-14(10-22-24)16(20-11-21-17)19-7-4-8-23(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20,21)/p+1