N,N-diethyl-4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzamide

Systemtic Name: N,N-diethyl-4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzamide Openeye Name: 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-diethyl-benzamide CAS Name: N,N-diethyl-4-[[3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-diethylbenzamide Traditional Name: 4-[3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propanoylamino]-N,N-diethyl-benzamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C26H30N4O3S/c1-4-30(5-2)25(33)20-11-13-21(14-12-20)28-23(31)16-15-22-18(3)27-26(29-24(22)32)34-17-19-9-7-6-8-10-19/h6-14H,4-5,15-17H2,1-3H3,(H,28,31)(H,27,29,32)