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

Systemtic Name: N-[2-butylsulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-butylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[2-(butylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[2-butylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[2-(butylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O3S/c1-3-5-10-27-18-22-15(20-13(24)4-2)14(17(26)23-18)21-16(25)11-6-8-12(19)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,21,25)(H2,20,22,23,24,26)