2-[[4-(pyrimidin-2-ylamino)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(pyrimidin-2-ylamino)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-(2-pyrimidinylamino)phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(2-pyrimidylamino)benzoyl]amino]glutaric acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H16N4O5/c21-13(22)7-6-12(15(24)25)20-14(23)10-2-4-11(5-3-10)19-16-17-8-1-9-18-16/h1-5,8-9,12H,6-7H2,(H,20,23)(H,21,22)(H,24,25)(H,17,18,19)