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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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