N-[6-acetamido-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-acetamido-4-oxo-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-acetamido-4-oxo-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-acetamido-4-oxo-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-acetamido-4-keto-2-(3-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=CN=CC=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC2=CN=CC=C2)NC(=O)C3=CC=C(C=C3)F

InChI

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