4-fluoranyl-N-[2-(3-methylbutylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[2-(3-methylbutylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: 4-fluoro-N-[2-isopentylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: 4-fluoro-N-[2-(3-methylbutylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: 4-fluoro-N-[2-(3-methylbutylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: 4-fluoro-N-[2-(isoamylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C19H23FN4O3S MolecularWeight: 406.474323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN4O3S/c1-4-14(25)21-16-15(22-17(26)12-5-7-13(20)8-6-12)18(27)24-19(23-16)28-10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,22,26)(H2,21,23,24,25,27)