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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propionamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c1-16-19(17(2)24-22(23-16)29-3)9-10-21(27)25-20(18-7-5-4-6-8-18)15-26-11-13-28-14-12-26/h4-8,20H,9-15H2,1-3H3,(H,25,27)/p+1/t20-/m1/s1