1-[3-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]-5-ethanoyl-phenyl]ethanone iodide

Systemtic Name: 1-[3-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]-5-ethanoyl-phenyl]ethanone iodide Openeye Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide CAS Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)amino]phenyl]ethanone iodide IUPAC Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide Traditional Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone iodide Formula: C16H19IN4O2 MolecularWeight: 426.25213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2.HI/c1-9-5-15(19-16(17)20(9)4)18-14-7-12(10(2)21)6-13(8-14)11(3)22;/h5-8H,1-4H3,(H2,17,18,19);1H