[6-azanyl-4-(2-ethylaziridin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [6-azanyl-4-(2-ethylaziridin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [6-amino-4-(2-ethylaziridin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [6-amino-4-(2-ethyl-1-aziridinyl)-2-(propylamino)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [6-amino-4-(2-ethylaziridin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [6-amino-4-(2-ethylethylenimin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] ester hydroxide Formula: C11H21N5O5S MolecularWeight: 335.37994

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CC2CC.[OH-]

Isomeric SMILES

CCCNC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CC2CC.[OH-]

InChI

InChI=1S/C11H19N5O4S.H2O/c1-3-5-13-11-14-10(15-7-8(15)4-2)6-9(12)16(11)20-21(17,18)19;/h6,8H,3-5,7H2,1-2H3,(H3,12,13,14,17,18,19);1H2