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

Systemtic Name: N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide Openeye Name: N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide CAS Name: N-(4-methoxyphenyl)-4-(1-methyl-4-pyridin-1-iumyl)-2-pyrimidinamine iodide IUPAC Name: N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide Traditional Name: (4-methoxyphenyl)-[4-(1-methylpyridin-1-ium-4-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=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)OC.[I-]

InChI

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