6-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[(3-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-ethyl-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-4-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-2-10-7-12(17)15-13(14-10)20-8-9-4-3-5-11(6-9)16(18)19/h3-7H,2,8H2,1H3,(H,14,15,17)