4-(4-methyl-6-morpholin-4-yl-pyrimidin-1-ium-2-yl)sulfanylbutan-2-one

Systemtic Name: 4-(4-methyl-6-morpholin-4-yl-pyrimidin-1-ium-2-yl)sulfanylbutan-2-one Openeye Name: 4-(4-methyl-6-morpholino-pyrimidin-1-ium-2-yl)sulfanylbutan-2-one CAS Name: 4-[[4-methyl-6-(4-morpholinyl)-2-pyrimidin-1-iumyl]thio]-2-butanone IUPAC Name: 4-(4-methyl-6-morpholin-4-ylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one Traditional Name: 4-[(4-methyl-6-morpholino-pyrimidin-1-ium-2-yl)thio]butan-2-one Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)SCCC(=O)C)N2CCOCC2

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)SCCC(=O)C)N2CCOCC2

InChI

InChI=1S/C13H19N3O2S/c1-10-9-12(16-4-6-18-7-5-16)15-13(14-10)19-8-3-11(2)17/h9H,3-8H2,1-2H3/p+1