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

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

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-13(2)12-20(27)25-17-8-6-16(7-9-17)24-19(26)11-10-18-14(3)22-21(28-5)23-15(18)4/h6-9,13H,10-12H2,1-5H3,(H,24,26)(H,25,27)