3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(3,4-dipropoxyphenyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(3,4-dipropoxyphenyl)propionamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)OCCC

InChI

InChI=1S/C22H31N3O3S/c1-6-12-27-19-10-8-17(14-20(19)28-13-7-2)25-21(26)11-9-18-15(3)23-22(29-5)24-16(18)4/h8,10,14H,6-7,9,11-13H2,1-5H3,(H,25,26)