ethyl 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxidanylidene-4-[(2-pyrimidin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxidanylidene-4-[(2-pyrimidin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[(2-pyrimidin-2-ylhydrazino)methylene]pyridin-1-ium-1-yl]acetate CAS Name: 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[(2-pyrimidinylhydrazo)methylidene]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[(2-pyrimidin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[(4Z)-3-keto-2-methyl-5-methylol-4-[[N'-(2-pyrimidyl)hydrazino]methylene]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H20N5O4+ MolecularWeight: 346.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C(=O)C(=CNNC2=NC=CC=N2)C(=C1)CO)C

Isomeric SMILES

CCOC(=O)C[N+]1=C(C(=O)/C(=C\NNC2=NC=CC=N2)/C(=C1)CO)C

InChI

InChI=1S/C16H19N5O4/c1-3-25-14(23)9-21-8-12(10-22)13(15(24)11(21)2)7-19-20-16-17-5-4-6-18-16/h4-8,22,24H,3,9-10H2,1-2H3/p+1/b13-7-