N-[6-acetamido-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-acetamido-4-oxo-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-acetamido-4-oxo-2-(2-pyridinylmethylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-acetamido-4-oxo-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-acetamido-4-keto-2-(2-pyridylmethylthio)-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C19H16FN5O3S MolecularWeight: 413.425443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN5O3S/c1-11(26)22-16-15(23-17(27)12-5-7-13(20)8-6-12)18(28)25-19(24-16)29-10-14-4-2-3-9-21-14/h2-9H,10H2,1H3,(H,23,27)(H2,22,24,25,26,28)