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

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 5-(2-hydroxyethyl)-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C14H15N2O2S- MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCO

InChI

InChI=1S/C14H16N2O2S/c1-10-12(7-8-17)13(18)16-14(15-10)19-9-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,16,18)/p-1