morpholin-4-ium; 2-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)carbonylamino]ethanoate

Systemtic Name: morpholin-4-ium; 2-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)carbonylamino]ethanoate Openeye Name: morpholin-4-ium; 2-[(4-oxo-2-thioxo-1H-pyrimidine-6-carbonyl)amino]acetate CAS Name: morpholin-4-ium; 2-[[oxo-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]amino]acetate IUPAC Name: morpholin-4-ium; 2-[(4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbonyl)amino]acetate Traditional Name: 2-[(4-keto-2-thioxo-1H-pyrimidine-6-carbonyl)amino]acetate; morpholin-4-ium Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH2+]1.C1=C(NC(=S)NC1=O)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1COCC[NH2+]1.C1=C(NC(=S)NC1=O)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C7H7N3O4S.C4H9NO/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13;1-3-6-4-2-5-1/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15);5H,1-4H2