2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]benzoic acid Openeye Name: 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzoic acid CAS Name: 2-[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]benzoic acid IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzoic acid Traditional Name: 2-[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]benzoic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H17N5O3/c22-14(23)12-4-1-2-5-13(12)19-16(24)21-10-8-20(9-11-21)15-17-6-3-7-18-15/h1-7H,8-11H2,(H,19,24)(H,22,23)