N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C18H14FN5O4S MolecularWeight: 415.398263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-])N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-])N)F

InChI

InChI=1S/C18H14FN5O4S/c19-13-7-2-1-6-12(13)16(25)21-14-15(20)22-18(23-17(14)26)29-9-10-4-3-5-11(8-10)24(27)28/h1-8H,9H2,(H,21,25)(H3,20,22,23,26)