2-(2-azaniumylethylsulfanyl)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(2-azaniumylethylsulfanyl)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-(2-azaniumylethylsulfanyl)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-(2-ammonioethylthio)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-(2-azaniumylethylsulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(2-ammonioethylthio)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2S/c1-6-7(2-4-13)8(14)12-9(11-6)15-5-3-10/h13H,2-5,10H2,1H3,(H,11,12,14)