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

Systemtic Name: N-(6-acetamido-4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-5-yl)-4-fluoranyl-benzamide Openeye Name: N-(6-acetamido-2-isopropylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-acetamido-4-oxo-2-(propan-2-ylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-(6-acetamido-4-oxo-2-propan-2-ylsulfanyl-1H-pyrimidin-5-yl)-4-fluorobenzamide Traditional Name: N-[6-acetamido-2-(isopropylthio)-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN4O3S/c1-8(2)25-16-20-13(18-9(3)22)12(15(24)21-16)19-14(23)10-4-6-11(17)7-5-10/h4-8H,1-3H3,(H,19,23)(H2,18,20,21,22,24)