3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[3-(1-pyrrolidinylmethyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[3-(pyrrolidinomethyl)phenyl]propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC(=C2)CN3CCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC(=C2)CN3CCCC3

InChI

InChI=1S/C21H28N4OS/c1-15-19(16(2)23-21(22-15)27-3)9-10-20(26)24-18-8-6-7-17(13-18)14-25-11-4-5-12-25/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,24,26)