3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N4O4S2/c1-14-5-6-17(13-19(14)31(27,28)25-9-11-29-12-10-25)24-20(26)8-7-18-15(2)22-21(30-4)23-16(18)3/h5-6,13H,7-12H2,1-4H3,(H,24,26)