2-oxidanylidene-1,3,4-oxathiazinane-5-carboxylate; 3-oxidanyl-6-piperidin-1-yl-pyrimidin-3-ium-2,4-diamine

Systemtic Name: 2-oxidanylidene-1,3,4-oxathiazinane-5-carboxylate; 3-oxidanyl-6-piperidin-1-yl-pyrimidin-3-ium-2,4-diamine Openeye Name: 3-hydroxy-6-(1-piperidyl)pyrimidin-3-ium-2,4-diamine; 2-oxo-1,3,4-oxathiazinane-5-carboxylate CAS Name: 3-hydroxy-6-(1-piperidinyl)pyrimidin-3-ium-2,4-diamine; 2-oxo-1,3,4-oxathiazinane-5-carboxylate IUPAC Name: 3-hydroxy-6-piperidin-1-ylpyrimidin-3-ium-2,4-diamine; 2-oxo-1,3,4-oxathiazinane-5-carboxylate Traditional Name: (2-amino-3-hydroxy-6-piperidino-pyrimidin-3-ium-4-yl)amine; 2-keto-1,3,4-oxathiazinane-5-carboxylate Formula: C13H20N6O5S MolecularWeight: 372.4001

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=[N+](C(=N2)N)O)N.C1C(NSC(=O)O1)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC(=[N+](C(=N2)N)O)N.C1C(NSC(=O)O1)C(=O)[O-]

InChI

InChI=1S/C9H15N5O.C4H5NO4S/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;6-3(7)2-1-9-4(8)10-5-2/h6,15H,1-5H2,(H3,10,11,12);2,5H,1H2,(H,6,7)