1-[3-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide

Systemtic Name: 1-[3-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide Openeye Name: 1-[3-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide CAS Name: 1-[3-[(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)amino]phenyl]ethanone iodide IUPAC Name: 1-[3-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide Traditional Name: 1-[3-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide Formula: C14H17IN4O MolecularWeight: 384.21545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)N)NC2=CC=CC(=C2)C(=O)C.[I-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)N)NC2=CC=CC(=C2)C(=O)C.[I-]

InChI

InChI=1S/C14H16N4O.HI/c1-9-7-13(17-14(15)18(9)3)16-12-6-4-5-11(8-12)10(2)19;/h4-8H,1-3H3,(H2,15,16,17);1H