4-(2-hydroxyethyloxy)-6-oxidanylidene-2-pyridin-2-yl-1H-pyrimidin-3-ium-5-carbonitrile chloride

Systemtic Name: 4-(2-hydroxyethyloxy)-6-oxidanylidene-2-pyridin-2-yl-1H-pyrimidin-3-ium-5-carbonitrile chloride Openeye Name: 4-(2-hydroxyethoxy)-6-oxo-2-(2-pyridyl)-1H-pyrimidin-3-ium-5-carbonitrile chloride CAS Name: 4-(2-hydroxyethoxy)-6-oxo-2-(2-pyridinyl)-1H-pyrimidin-3-ium-5-carbonitrile chloride IUPAC Name: 4-(2-hydroxyethoxy)-6-oxo-2-pyridin-2-yl-1H-pyrimidin-3-ium-5-carbonitrile chloride Traditional Name: 4-(2-hydroxyethoxy)-6-keto-2-(2-pyridyl)-1H-pyrimidin-3-ium-5-carbonitrile chloride Formula: C12H11ClN4O3 MolecularWeight: 294.69374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=[NH+]C(=C(C(=O)N2)C#N)OCCO.[Cl-]

Isomeric SMILES

C1=CC=NC(=C1)C2=[NH+]C(=C(C(=O)N2)C#N)OCCO.[Cl-]

InChI

InChI=1S/C12H10N4O3.ClH/c13-7-8-11(18)15-10(9-3-1-2-4-14-9)16-12(8)19-6-5-17;/h1-4,17H,5-6H2,(H,15,16,18);1H