1-ethyl-2-oxidanyl-3-[(4Z)-5-oxidanylidene-4-[(pyrimidin-2-ylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one

Systemtic Name: 1-ethyl-2-oxidanyl-3-[(4Z)-5-oxidanylidene-4-[(pyrimidin-2-ylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one Openeye Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-oxo-4-[(pyrimidin-2-ylamino)methylene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one CAS Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-oxo-4-[(2-pyrimidinylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one IUPAC Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-oxo-4-[(pyrimidin-2-ylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one Traditional Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-keto-4-[(2-pyrimidylamino)methylene]-2-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C19H17N6O3+ MolecularWeight: 377.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(=O)C3=CNC4=NC=CC=N4)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C\3=NNC(=O)/C3=C\NC4=NC=CC=N4)O

InChI

InChI=1S/C19H16N6O3/c1-2-25-13-7-4-3-6-11(13)16(26)14(18(25)28)15-12(17(27)24-23-15)10-22-19-20-8-5-9-21-19/h3-10,14H,2H2,1H3,(H2,20,21,22,23,24,27)/p+1