5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-ethyl-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-ethyl-4-hydroxy-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-ethyl-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-ethyl-4-hydroxy-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-one Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13N3O4S/c1-2-10-11(17)14-13(15-12(10)18)21-7-8-3-5-9(6-4-8)16(19)20/h3-6H,2,7H2,1H3,(H2,14,15,17,18)