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

Systemtic Name: 6-methyl-4-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-2-one Openeye Name: 6-methyl-4-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-2-one CAS Name: 6-methyl-4-[(3-nitrophenyl)methylthio]-1H-pyrimidin-2-one IUPAC Name: 6-methyl-4-[(3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-2-one Traditional Name: 6-methyl-4-[(3-nitrobenzyl)thio]-1H-pyrimidin-2-one Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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