3-[(6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 3-[(6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(6-methyl-2-phenyl-4-pyrimidinyl)amino]benzoate IUPAC Name: 3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoate Formula: C18H14N3O2- MolecularWeight: 304.32266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H15N3O2/c1-12-10-16(20-15-9-5-8-14(11-15)18(22)23)21-17(19-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,22,23)(H,19,20,21)/p-1