N-[6-acetamido-2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-acetamido-2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-acetamido-2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-acetamido-2-[[2-(methylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-acetamido-2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-acetamido-4-keto-2-[[2-keto-2-(methylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H16FN5O4S MolecularWeight: 393.392743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN5O4S/c1-8(23)19-13-12(20-14(25)9-3-5-10(17)6-4-9)15(26)22-16(21-13)27-7-11(24)18-2/h3-6H,7H2,1-2H3,(H,18,24)(H,20,25)(H2,19,21,22,23,26)