[2,6-bis(azanyl)-4-thiomorpholin-4-yl-pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [2,6-bis(azanyl)-4-thiomorpholin-4-yl-pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: (2,6-diamino-4-thiomorpholino-pyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide CAS Name: sulfuric acid (2,6-diamino-4-thiomorpholin-4-yl-1-pyrimidin-1-iumyl) ester hydroxide IUPAC Name: (2,6-diamino-4-thiomorpholin-4-ylpyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide Traditional Name: sulfuric acid (2,6-diamino-4-thiomorpholino-pyrimidin-1-ium-1-yl) ester hydroxide Formula: C8H15N5O5S2 MolecularWeight: 325.3652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N.[OH-]

Isomeric SMILES

C1CSCCN1C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N.[OH-]

InChI

InChI=1S/C8H13N5O4S2.H2O/c9-6-5-7(12-1-3-18-4-2-12)11-8(10)13(6)17-19(14,15)16;/h5H,1-4H2,(H4,9,10,11,14,15,16);1H2