N-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-[4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]acetamide CAS Name: N-[4-hydroxy-2-[(4-nitrophenyl)methylthio]-6-oxo-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-[4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]acetamide Traditional Name: N-[4-hydroxy-6-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-5-yl]acetamide Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H12N4O5S/c1-7(18)14-10-11(19)15-13(16-12(10)20)23-6-8-2-4-9(5-3-8)17(21)22/h2-5H,6H2,1H3,(H,14,18)(H2,15,16,19,20)