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

Systemtic Name: N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]furan-2-carboxamide Openeye Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide CAS Name: N-[6-amino-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-furancarboxamide IUPAC Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-2-furamide Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O5S/c17-13-12(18-14(22)11-2-1-7-26-11)15(23)20-16(19-13)27-8-9-3-5-10(6-4-9)21(24)25/h1-7H,8H2,(H,18,22)(H3,17,19,20,23)