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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)CCC2=C(N=C(N=C2C)SC)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)CCC2=C(N=C(N=C2C)SC)C)OC

InChI

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