4-tert-butyl-N-[5-(2-methylsulfanylpyrimidin-4-yl)-2-oxidanylidene-1H-pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-(2-methylsulfanylpyrimidin-4-yl)-2-oxidanylidene-1H-pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-(2-methylsulfanylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[2-(methylthio)-4-pyrimidinyl]-2-oxo-1H-pyridin-3-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-(2-methylsulfanylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-keto-5-[2-(methylthio)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CNC2=O)C3=NC(=NC=C3)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CNC2=O)C3=NC(=NC=C3)SC

InChI

InChI=1S/C21H22N4O2S/c1-21(2,3)15-7-5-13(6-8-15)18(26)24-17-11-14(12-23-19(17)27)16-9-10-22-20(25-16)28-4/h5-12H,1-4H3,(H,23,27)(H,24,26)