2-[[4-[2-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)amino]ethylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)amino]ethylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]ethylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]ethylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-[(2-amino-6-keto-1H-pyrimidin-5-yl)amino]ethylamino]benzoyl]amino]glutaric acid Formula: C18H22N6O6 MolecularWeight: 418.40388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCNC2=CN=C(NC2=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCNC2=CN=C(NC2=O)N

InChI

InChI=1S/C18H22N6O6/c19-18-22-9-13(16(28)24-18)21-8-7-20-11-3-1-10(2-4-11)15(27)23-12(17(29)30)5-6-14(25)26/h1-4,9,12,20-21H,5-8H2,(H,23,27)(H,25,26)(H,29,30)(H3,19,22,24,28)