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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-6-25(7-2)20(27)16-8-10-17(11-9-16)24-19(26)13-12-18-14(3)22-21(28-5)23-15(18)4/h8-11H,6-7,12-13H2,1-5H3,(H,24,26)