5-methyl-2-[2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoyl]-7-morpholin-4-yl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate

Systemtic Name: 5-methyl-2-[2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoyl]-7-morpholin-4-yl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate Openeye Name: 5-methyl-2-[2-(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylacetyl]-7-morpholino-thiazolo[3,2-a]pyridin-4-ium-3-olate CAS Name: 5-methyl-2-[2-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-7-(4-morpholinyl)-3-thiazolo[3,2-a]pyridin-4-iumolate IUPAC Name: 5-methyl-2-[2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]-7-morpholin-4-yl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate Traditional Name: 5-methyl-2-[2-[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]acetyl]-7-morpholino-thiazolo[3,2-a]pyridin-4-ium-3-olate Formula: C23H27N5O4S2 MolecularWeight: 501.62158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=C([N+]3=C(C=C(C=C3S2)N4CCOCC4)C)[O-])N5CCOCC5

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=C([N+]3=C(C=C(C=C3S2)N4CCOCC4)C)[O-])N5CCOCC5

InChI

InChI=1S/C23H27N5O4S2/c1-15-11-19(27-5-9-32-10-6-27)25-23(24-15)33-14-18(29)21-22(30)28-16(2)12-17(13-20(28)34-21)26-3-7-31-8-4-26/h11-13H,3-10,14H2,1-2H3