[2-(4-cyanophenyl)-6-methyl-pyrimidin-4-yl]-[2-(1-oxidanylpyridin-1-ium-3-yl)ethyl]azanide

Systemtic Name: [2-(4-cyanophenyl)-6-methyl-pyrimidin-4-yl]-[2-(1-oxidanylpyridin-1-ium-3-yl)ethyl]azanide Openeye Name: [2-(4-cyanophenyl)-6-methyl-pyrimidin-4-yl]-[2-(1-hydroxypyridin-1-ium-3-yl)ethyl]azanide CAS Name: [2-(4-cyanophenyl)-6-methyl-4-pyrimidinyl]-[2-(1-hydroxy-3-pyridin-1-iumyl)ethyl]azanide IUPAC Name: [2-(4-cyanophenyl)-6-methylpyrimidin-4-yl]-[2-(1-hydroxypyridin-1-ium-3-yl)ethyl]azanide Traditional Name: [2-(4-cyanophenyl)-6-methyl-pyrimidin-4-yl]-[2-(1-hydroxypyridin-1-ium-3-yl)ethyl]azanide Formula: C19H17N5O MolecularWeight: 331.37118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C#N)[N-]CCC3=C[N+](=CC=C3)O

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C#N)[N-]CCC3=C[N+](=CC=C3)O

InChI

InChI=1S/C19H17N5O/c1-14-11-18(21-9-8-16-3-2-10-24(25)13-16)23-19(22-14)17-6-4-15(12-20)5-7-17/h2-7,10-11,13H,8-9H2,1H3,(H-,21,22,23,25)