[2-azanyl-6-(butylamino)-4-morpholin-4-yl-pyrimidin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2-azanyl-6-(butylamino)-4-morpholin-4-yl-pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-6-(butylamino)-4-morpholino-pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-6-(butylamino)-4-(4-morpholinyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2-amino-6-(butylamino)-4-morpholin-4-ylpyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-6-(butylamino)-4-morpholino-pyrimidin-1-ium-1-yl] ester Formula: C12H22N5O5S+ MolecularWeight: 348.39858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](C(=NC(=C1)N2CCOCC2)N)OS(=O)(=O)O

Isomeric SMILES

CCCCNC1=[N+](C(=NC(=C1)N2CCOCC2)N)OS(=O)(=O)O

InChI

InChI=1S/C12H21N5O5S/c1-2-3-4-14-10-9-11(16-5-7-21-8-6-16)15-12(13)17(10)22-23(18,19)20/h9H,2-8H2,1H3,(H3,13,14,15,18,19,20)/p+1