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

Systemtic Name: N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C18H13F2N5O4S MolecularWeight: 433.388726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13F2N5O4S/c19-12-6-3-10(7-13(12)20)16(26)22-14-15(21)23-18(24-17(14)27)30-8-9-1-4-11(5-2-9)25(28)29/h1-7H,8H2,(H,22,26)(H3,21,23,24,27)