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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[1-(4-propionamidophenyl)ethyl]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C21H28N4O2S/c1-6-19(26)25-17-9-7-16(8-10-17)13(2)22-20(27)12-11-18-14(3)23-21(28-5)24-15(18)4/h7-10,13H,6,11-12H2,1-5H3,(H,22,27)(H,25,26)