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

Systemtic Name: [6-azanyl-4-(2-ethylaziridin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [6-amino-4-(2-ethylaziridin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [6-amino-4-(2-ethyl-1-aziridinyl)-2-(propylamino)-1-pyrimidin-1-iumyl] ester IUPAC Name: [6-amino-4-(2-ethylaziridin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [6-amino-4-(2-ethylethylenimin-1-yl)-2-(propylamino)pyrimidin-1-ium-1-yl] ester Formula: C11H20N5O4S+ MolecularWeight: 318.3726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N5O4S/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)/p+1