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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H16N4O2/c1-24-17(23)14-6-4-13(5-7-14)11-21-18-20-10-8-16(22-18)15-3-2-9-19-12-15/h2-10,12H,11H2,1H3,(H,20,21,22)