ethyl 3-[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]benzoate

Systemtic Name: ethyl 3-[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]benzoate Openeye Name: ethyl 3-[[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 3-[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]benzoate Traditional Name: 3-[[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C18H16N4O3/c1-2-25-17(24)13-4-3-5-14(10-13)20-18-21-15(11-16(23)22-18)12-6-8-19-9-7-12/h3-11H,2H2,1H3,(H2,20,21,22,23)