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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[4-(pyrrolidinomethyl)benzyl]propionamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C22H30N4OS/c1-16-20(17(2)25-22(24-16)28-3)10-11-21(27)23-14-18-6-8-19(9-7-18)15-26-12-4-5-13-26/h6-9H,4-5,10-15H2,1-3H3,(H,23,27)