2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: 2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-4-pyrimidinyl]thio]acetate IUPAC Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]thio]acetate Formula: C15H15N2O3S- MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)[O-])[C@H](C)O

InChI

InChI=1S/C15H16N2O3S/c1-9-13(10(2)18)15(21-8-12(19)20)17-14(16-9)11-6-4-3-5-7-11/h3-7,10,18H,8H2,1-2H3,(H,19,20)/p-1/t10-/m0/s1