N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[(E)-cinnamyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-2-[[(E)-cinnamyl]thio]-4-keto-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H17FN4O2S/c21-15-11-5-4-10-14(15)18(26)23-16-17(22)24-20(25-19(16)27)28-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,23,26)(H3,22,24,25,27)/b9-6+