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

Systemtic Name: [2,6-bis(azanyl)-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(1-azetidinyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(azetidin-1-yl)pyrimidin-1-ium-1-yl] ester Formula: C7H12N5O4S+ MolecularWeight: 262.26628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N5O4S/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)/p+1