2-[[2-[(3-ethanoylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(3-ethanoylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(3-acetylanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(3-acetylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-acetylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(3-acetylanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H16N4O3/c1-12(24)13-5-4-6-14(11-13)21-19-20-10-9-17(23-19)22-16-8-3-2-7-15(16)18(25)26/h2-11H,1H3,(H,25,26)(H2,20,21,22,23)