methyl 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoate

Systemtic Name: methyl 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoate Openeye Name: methyl 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[(5-cyano-4-phenyl-2-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-cyano-4-phenylpyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid methyl ester Formula: C19H14N4O2 MolecularWeight: 330.34006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H14N4O2/c1-25-18(24)14-7-9-16(10-8-14)22-19-21-12-15(11-20)17(23-19)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,21,22,23)