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

Systemtic Name: 2-[[4-[3-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)amino]propylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]propylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]propylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]propylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-[(2-amino-6-keto-1H-pyrimidin-5-yl)amino]propylamino]benzoyl]amino]glutaric acid Formula: C19H24N6O6 MolecularWeight: 432.43046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCCNC2=CN=C(NC2=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCCNC2=CN=C(NC2=O)N

InChI

InChI=1S/C19H24N6O6/c20-19-23-10-14(17(29)25-19)22-9-1-8-21-12-4-2-11(3-5-12)16(28)24-13(18(30)31)6-7-15(26)27/h2-5,10,13,21-22H,1,6-9H2,(H,24,28)(H,26,27)(H,30,31)(H3,20,23,25,29)