2-[[4-[3-(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-4,5-dihydroimidazol-3-ium-1-yl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-4,5-dihydroimidazol-3-ium-1-yl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-6-oxo-1H-pyrimidin-5-yl)-4,5-dihydroimidazol-3-ium-1-yl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-(2-amino-6-oxo-1H-pyrimidin-5-yl)-4,5-dihydroimidazol-3-ium-1-yl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-6-oxo-1H-pyrimidin-5-yl)-4,5-dihydroimidazol-3-ium-1-yl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-6-keto-1H-pyrimidin-5-yl)-2-imidazolin-3-ium-1-yl]benzoyl]amino]glutaric acid Formula: C19H21N6O6+ MolecularWeight: 429.40664

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=CN1C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)C3=CN=C(NC3=O)N

Isomeric SMILES

C1C[N+](=CN1C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)C3=CN=C(NC3=O)N

InChI

InChI=1S/C19H20N6O6/c20-19-21-9-14(17(29)23-19)25-8-7-24(10-25)12-3-1-11(2-4-12)16(28)22-13(18(30)31)5-6-15(26)27/h1-4,9-10,13H,5-8H2,(H5-,20,21,22,23,26,27,28,29,30,31)/p+1