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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CCC2=C(N=C(N=C2C)SC)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CCC2=C(N=C(N=C2C)SC)C)OCC

InChI

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