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

Systemtic Name: 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C17H23N6O+ MolecularWeight: 327.40412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O/c1-22(2)10-4-9-18-16-15-11-21-23(17(15)20-12-19-16)13-5-7-14(24-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,19,20)/p+1