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

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-(6-acetamido-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-acetamido-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-(6-acetamido-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-fluorobenzamide Traditional Name: N-[6-acetamido-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4O3S/c1-12(26)22-17-16(23-18(27)14-7-9-15(21)10-8-14)19(28)25-20(24-17)29-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,27)(H2,22,24,25,26,28)