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

Systemtic Name: N-[4-oxidanylidene-2-(phenylmethylsulfanyl)-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-benzylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-(phenylmethylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-benzylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-(benzylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-2-16(26)22-18-17(23-19(27)15-11-7-4-8-12-15)20(28)25-21(24-18)29-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,23,27)(H2,22,24,25,26,28)