N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[(1S)-1-(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)C(C)NC(=O)CCC2=C(N=C(N=C2C)SC)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)CCC2=C(N=C(N=C2C)SC)C)OCC

InChI

InChI=1S/C22H31N3O3S/c1-7-27-19-11-9-17(13-20(19)28-8-2)14(3)23-21(26)12-10-18-15(4)24-22(29-6)25-16(18)5/h9,11,13-14H,7-8,10,12H2,1-6H3,(H,23,26)/t14-/m0/s1