2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzamide

Systemtic Name: 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzamide CAS Name: 2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]benzamide Traditional Name: 2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]benzamide Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC=C2C(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C17H20N4O2S/c1-10-12(11(2)20-17(19-10)24-3)8-9-15(22)21-14-7-5-4-6-13(14)16(18)23/h4-7H,8-9H2,1-3H3,(H2,18,23)(H,21,22)