[6-azanyl-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [6-azanyl-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [6-amino-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [6-amino-2-ethyl-4-(3-methyl-1-azetidinyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [6-amino-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [6-amino-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] ester Formula: C10H17N4O4S+ MolecularWeight: 289.33138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CC(C2)C

Isomeric SMILES

CCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CC(C2)C

InChI

InChI=1S/C10H16N4O4S/c1-3-9-12-10(13-5-7(2)6-13)4-8(11)14(9)18-19(15,16)17/h4,7,11H,3,5-6H2,1-2H3,(H,15,16,17)/p+1