4-[2-[(4-aminocarbonylphenyl)amino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-[(4-aminocarbonylphenyl)amino]pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-(4-carbamoylanilino)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-(4-carbamoylanilino)-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(4-carbamoylanilino)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-(4-carbamoylanilino)pyrimidin-4-yl]benzoic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N)C(=O)O

InChI

InChI=1S/C18H14N4O3/c19-16(23)12-5-7-14(8-6-12)21-18-20-10-9-15(22-18)11-1-3-13(4-2-11)17(24)25/h1-10H,(H2,19,23)(H,24,25)(H,20,21,22)