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

Systemtic Name: N-[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]phenyl]-2-methyl-propionamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C20H26N4O2S/c1-12(2)19(26)24-16-8-6-15(7-9-16)23-18(25)11-10-17-13(3)21-20(27-5)22-14(17)4/h6-9,12H,10-11H2,1-5H3,(H,23,25)(H,24,26)