N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C16H12BrN5O5S MolecularWeight: 466.26598

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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(O3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN5O5S/c17-11-6-5-10(27-11)14(23)19-12-13(18)20-16(21-15(12)24)28-7-8-1-3-9(4-2-8)22(25)26/h1-6H,7H2,(H,19,23)(H3,18,20,21,24)