N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-2-yl)pyrimidin-2-amine iodide

Systemtic Name: N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-2-yl)pyrimidin-2-amine iodide Openeye Name: N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-2-yl)pyrimidin-2-amine iodide CAS Name: N-(4-methoxyphenyl)-4-(1-methyl-2-pyridin-1-iumyl)-2-pyrimidinamine iodide IUPAC Name: N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-2-yl)pyrimidin-2-amine iodide Traditional Name: (4-methoxyphenyl)-[4-(1-methylpyridin-1-ium-2-yl)pyrimidin-2-yl]amine iodide Formula: C17H17IN4O MolecularWeight: 420.24755

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)OC.[I-]

InChI

InChI=1S/C17H17N4O.HI/c1-21-12-4-3-5-16(21)15-10-11-18-17(20-15)19-13-6-8-14(22-2)9-7-13;/h3-12H,1-2H3,(H,18,19,20);1H/q+1;/p-1