2-[[4-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)piperazin-1-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)piperazin-1-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[4-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-1-piperazinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[4-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)piperazine-1-carbonyl]amino]glutaric acid Formula: C16H23N5O6 MolecularWeight: 381.38372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)N2CCN(CC2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)N2CCN(CC2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H23N5O6/c1-9-13(14(24)18-10(2)17-9)20-5-7-21(8-6-20)16(27)19-11(15(25)26)3-4-12(22)23/h11H,3-8H2,1-2H3,(H,19,27)(H,22,23)(H,25,26)(H,17,18,24)