ethyl 3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate

Systemtic Name: ethyl 3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate Openeye Name: ethyl 3-[[4-(2-pyridyl)pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(2-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate Traditional Name: 3-[[4-(2-pyridyl)pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=CC=N3

InChI

InChI=1S/C18H16N4O2/c1-2-24-17(23)13-6-5-7-14(12-13)21-18-20-11-9-16(22-18)15-8-3-4-10-19-15/h3-12H,2H2,1H3,(H,20,21,22)