2-(2-azaniumylethylsulfanyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(2-azaniumylethylsulfanyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-(2-azaniumylethylsulfanyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-(2-ammonioethylthio)-6-methyl-4-pyrimidinolate IUPAC Name: 2-(2-azaniumylethylsulfanyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(2-ammonioethylthio)-6-methyl-pyrimidin-4-olate Formula: C7H11N3OS MolecularWeight: 185.24674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC[NH3+])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC[NH3+])[O-]

InChI

InChI=1S/C7H11N3OS/c1-5-4-6(11)10-7(9-5)12-3-2-8/h4H,2-3,8H2,1H3,(H,9,10,11)