5-isocyano-6-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-isocyano-6-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-isocyano-6-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-isocyano-6-(4-methoxyphenyl)-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-isocyano-6-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-isocyano-6-(4-methoxyphenyl)-2-(methylthio)-1H-pyrimidin-4-one Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SC)[N+]#[C-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SC)[N+]#[C-]

InChI

InChI=1S/C13H11N3O2S/c1-14-11-10(15-13(19-3)16-12(11)17)8-4-6-9(18-2)7-5-8/h4-7H,2-3H3,(H,15,16,17)