2-(3-azaniumylpropylsulfanyl)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3O2S/c1-7-8(3-5-14)9(15)13-10(12-7)16-6-2-4-11/h14H,2-6,11H2,1H3,(H,12,13,15)