3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[6-(p-tolyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[6-(4-methylphenyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[6-(p-tolyl)pyrimidin-4-yl]amino]benzoic acid Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=CC(=C3)C(=O)O

InChI

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