[4-methyl-2-(methylamino)-6-(phenethylamino)oxy-pyrimidin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [4-methyl-2-(methylamino)-6-(phenethylamino)oxy-pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [4-methyl-2-(methylamino)-6-(phenethylamino)oxy-pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [4-methyl-2-(methylamino)-6-(phenethylamino)oxy-1-pyrimidin-1-iumyl] ester IUPAC Name: [4-methyl-2-(methylamino)-6-(phenethylamino)oxypyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [4-methyl-2-(methylamino)-6-(phenethylamino)oxy-pyrimidin-1-ium-1-yl] ester Formula: C14H19N4O5S+ MolecularWeight: 355.38946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=N1)NC)OS(=O)(=O)O)ONCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=[N+](C(=N1)NC)OS(=O)(=O)O)ONCCC2=CC=CC=C2

InChI

InChI=1S/C14H18N4O5S/c1-11-10-13(18(14(15-2)17-11)23-24(19,20)21)22-16-9-8-12-6-4-3-5-7-12/h3-7,10,16H,8-9H2,1-2H3,(H,19,20,21)/p+1