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

Systemtic Name: N-[4-oxidanylidene-6-(propanoylamino)-2-propan-2-ylsulfanyl-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-isopropylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-(propan-2-ylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[4-oxo-6-(propanoylamino)-2-propan-2-ylsulfanyl-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-(isopropylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c1-4-12(22)18-14-13(16(24)21-17(20-14)25-10(2)3)19-15(23)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,19,23)(H2,18,20,21,22,24)