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

Systemtic Name: N-[6-azanyl-2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C19H15FN6O5S MolecularWeight: 458.423003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N)F

InChI

InChI=1S/C19H15FN6O5S/c20-13-7-2-1-6-12(13)17(28)23-15-16(21)24-19(25-18(15)29)32-9-14(27)22-10-4-3-5-11(8-10)26(30)31/h1-8H,9H2,(H,22,27)(H,23,28)(H3,21,24,25,29)