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

Systemtic Name: 1-(4-chlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(4-chlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(4-chlorophenyl)-N-(2-pyridin-1-iumylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(4-chlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-1-ium-2-ylmethyl)amine Formula: C17H14ClN6+ MolecularWeight: 337.78626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN6/c18-12-4-6-14(7-5-12)24-17-15(10-23-24)16(21-11-22-17)20-9-13-3-1-2-8-19-13/h1-8,10-11H,9H2,(H,20,21,22)/p+1