2-[(6-oxidanylidene-7-pyrimidin-5-yl-4H-quinoxalin-5-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(6-oxidanylidene-7-pyrimidin-5-yl-4H-quinoxalin-5-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(6-oxo-7-pyrimidin-5-yl-4H-quinoxaline-5-carbonyl)amino]acetic acid CAS Name: 2-[[oxo-[6-oxo-7-(5-pyrimidinyl)-4H-quinoxalin-5-yl]methyl]amino]acetic acid IUPAC Name: 2-[(6-oxo-7-pyrimidin-5-yl-4H-quinoxaline-5-carbonyl)amino]acetic acid Traditional Name: 2-[[6-keto-7-(5-pyrimidyl)-4H-quinoxaline-5-carbonyl]amino]acetic acid Formula: C15H11N5O4 MolecularWeight: 325.27894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C=C(C(=O)C(=C2N1)C(=O)NCC(=O)O)C3=CN=CN=C3

Isomeric SMILES

C1=CN=C2C=C(C(=O)C(=C2N1)C(=O)NCC(=O)O)C3=CN=CN=C3

InChI

InChI=1S/C15H11N5O4/c21-11(22)6-20-15(24)12-13-10(18-1-2-19-13)3-9(14(12)23)8-4-16-7-17-5-8/h1-5,7,19H,6H2,(H,20,24)(H,21,22)