3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[3-(methylsulfonylamino)phenyl]methyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[3-(methylsulfonylamino)phenyl]methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[3-(methanesulfonamido)benzyl]propionamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C18H24N4O3S2/c1-12-16(13(2)21-18(20-12)26-3)8-9-17(23)19-11-14-6-5-7-15(10-14)22-27(4,24)25/h5-7,10,22H,8-9,11H2,1-4H3,(H,19,23)