1-(2,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2,4-dimethylphenyl)-N-(2-pyridin-1-iumylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-1-ium-2-ylmethyl)amine Formula: C19H19N6+ MolecularWeight: 331.39436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=[NH+]4)C

InChI

InChI=1S/C19H18N6/c1-13-6-7-17(14(2)9-13)25-19-16(11-24-25)18(22-12-23-19)21-10-15-5-3-4-8-20-15/h3-9,11-12H,10H2,1-2H3,(H,21,22,23)/p+1