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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

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