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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[3-(2,3,5-trimethylphenoxy)propyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]propionamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)CCC2=C(N=C(N=C2C)SC)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)CCC2=C(N=C(N=C2C)SC)C)C)C

InChI

InChI=1S/C22H31N3O2S/c1-14-12-15(2)16(3)20(13-14)27-11-7-10-23-21(26)9-8-19-17(4)24-22(28-6)25-18(19)5/h12-13H,7-11H2,1-6H3,(H,23,26)