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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(hydroxymethyl)phenyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(hydroxymethyl)phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[3-(hydroxymethyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(hydroxymethyl)phenyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(3-methylolphenyl)propionamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC(=C2)CO

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC(=C2)CO

InChI

InChI=1S/C17H21N3O2S/c1-11-15(12(2)19-17(18-11)23-3)7-8-16(22)20-14-6-4-5-13(9-14)10-21/h4-6,9,21H,7-8,10H2,1-3H3,(H,20,22)