4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid CAS Name: 4-[(5-cyano-4-phenyl-2-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(5-cyano-4-phenylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid Formula: C18H12N4O2 MolecularWeight: 316.31348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H12N4O2/c19-10-14-11-20-18(22-16(14)12-4-2-1-3-5-12)21-15-8-6-13(7-9-15)17(23)24/h1-9,11H,(H,23,24)(H,20,21,22)