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

Systemtic Name: N-(6-acetamido-2-butylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-fluoranyl-benzamide Openeye Name: N-(6-acetamido-2-butylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-acetamido-2-(butylthio)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-(6-acetamido-2-butylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-fluorobenzamide Traditional Name: N-[6-acetamido-2-(butylthio)-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C17H19FN4O3S MolecularWeight: 378.421163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O3S/c1-3-4-9-26-17-21-14(19-10(2)23)13(16(25)22-17)20-15(24)11-5-7-12(18)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,20,24)(H2,19,21,22,23,25)