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

Systemtic Name: [2,6-bis(azanyl)-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2,6-diamino-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2,6-diamino-4-(1-azetidinyl)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [2,6-diamino-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2,6-diamino-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] ester hydroxide Formula: C7H13N5O5S MolecularWeight: 279.27362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N.[OH-]

Isomeric SMILES

C1CN(C1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N.[OH-]

InChI

InChI=1S/C7H11N5O4S.H2O/c8-5-4-6(11-2-1-3-11)10-7(9)12(5)16-17(13,14)15;/h4H,1-3H2,(H4,8,9,10,13,14,15);1H2