2-(2-azaniumylethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 2-(2-azaniumylethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-(2-azaniumylethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-(2-ammonioethylthio)-6-(3-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-(2-azaniumylethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-(2-ammonioethylthio)-6-(3-methoxyphenyl)pyrimidin-4-olate Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC[NH3+])[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC[NH3+])[O-]

InChI

InChI=1S/C13H15N3O2S/c1-18-10-4-2-3-9(7-10)11-8-12(17)16-13(15-11)19-6-5-14/h2-4,7-8H,5-6,14H2,1H3,(H,15,16,17)