6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[(4-nitrophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[(4-nitrobenzyl)thio]pyrimidin-4-olate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H11N3O3S/c1-8-6-11(16)14-12(13-8)19-7-9-2-4-10(5-3-9)15(17)18/h2-6H,7H2,1H3,(H,13,14,16)/p-1