3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propionamide Formula: C21H35N4O2S+ MolecularWeight: 407.5932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C21H34N4O2S/c1-16-18(17(2)24-20(23-16)28-3)7-8-19(26)22-15-21(9-5-4-6-10-21)25-11-13-27-14-12-25/h4-15H2,1-3H3,(H,22,26)/p+1