4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

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