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

Systemtic Name: N-[2-butylsulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-butylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-(butylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-butylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-(butylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3S/c1-3-5-11-26-18-21-15(19-13(23)4-2)14(17(25)22-18)20-16(24)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,20,24)(H2,19,21,22,23,25)