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

Systemtic Name: N-[2-(cyanomethylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-(cyanomethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-(cyanomethylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-(cyanomethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-(cyanomethylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15N5O3S/c1-2-11(22)18-13-12(15(24)21-16(20-13)25-9-8-17)19-14(23)10-6-4-3-5-7-10/h3-7H,2,9H2,1H3,(H,19,23)(H2,18,20,21,22,24)