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

Systemtic Name: [2,6-bis(azanyl)-4-(2-ethylthiomorpholin-4-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(2-ethylthiomorpholin-4-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(2-ethyl-4-thiomorpholinyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(2-ethylthiomorpholin-4-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(2-ethylthiomorpholin-4-yl)pyrimidin-1-ium-1-yl] ester Formula: C10H18N5O4S2+ MolecularWeight: 336.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCS1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

Isomeric SMILES

CCC1CN(CCS1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

InChI

InChI=1S/C10H17N5O4S2/c1-2-7-6-14(3-4-20-7)9-5-8(11)15(10(12)13-9)19-21(16,17)18/h5,7H,2-4,6H2,1H3,(H4,11,12,13,16,17,18)/p+1