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

Systemtic Name: 1-phenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-phenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-phenyl-N-(3-pyridin-1-iumylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-phenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-1-ium-3-ylmethyl)amine Formula: C17H15N6+ MolecularWeight: 303.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C17H14N6/c1-2-6-14(7-3-1)23-17-15(11-22-23)16(20-12-21-17)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21)/p+1