2-[[4-[(2-azanylpyrimidin-4-yl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanylpyrimidin-4-yl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-aminopyrimidin-4-yl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-pyrimidinyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-aminopyrimidin-4-yl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-aminopyrimidin-4-yl)amino]benzoyl]amino]glutaric acid Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=NC(=NC=C2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=NC(=NC=C2)N

InChI

InChI=1S/C16H17N5O5/c17-16-18-8-7-12(21-16)19-10-3-1-9(2-4-10)14(24)20-11(15(25)26)5-6-13(22)23/h1-4,7-8,11H,5-6H2,(H,20,24)(H,22,23)(H,25,26)(H3,17,18,19,21)