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

Systemtic Name: 5-methyl-6-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-2-one Openeye Name: 5-methyl-6-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-2-one CAS Name: 5-methyl-6-[(4-nitrophenyl)methylthio]-1H-pyrimidin-2-one IUPAC Name: 5-methyl-6-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-2-one Traditional Name: 5-methyl-6-[(4-nitrobenzyl)thio]-1H-pyrimidin-2-one Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=O)N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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