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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[2-(morpholinomethyl)phenyl]methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[2-(4-morpholinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[2-(morpholinomethyl)benzyl]propionamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=CC=C2CN3CCOCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=CC=C2CN3CCOCC3

InChI

InChI=1S/C22H30N4O2S/c1-16-20(17(2)25-22(24-16)29-3)8-9-21(27)23-14-18-6-4-5-7-19(18)15-26-10-12-28-13-11-26/h4-7H,8-15H2,1-3H3,(H,23,27)