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

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(2,4-diketo-1H-pyrimidin-5-yl)-2-[(4-nitrobenzyl)thio]acetamide Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=CNC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=CNC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c18-11(15-10-5-14-13(20)16-12(10)19)7-23-6-8-1-3-9(4-2-8)17(21)22/h1-5H,6-7H2,(H,15,18)(H2,14,16,19,20)