2-[4-methyl-6-oxidanidyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-6-oxidanidyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-5-yl]ethanoate Openeye Name: 2-[4-methyl-6-oxido-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-5-yl]acetate CAS Name: 2-[4-methyl-6-oxido-2-[[(1S)-1-phenylethyl]thio]-5-pyrimidinyl]acetate IUPAC Name: 2-[4-methyl-6-oxido-2-[(1S)-1-phenylethyl]sulfanylpyrimidin-5-yl]acetate Traditional Name: 2-[4-methyl-6-oxido-2-[[(1S)-1-phenylethyl]thio]pyrimidin-5-yl]acetate Formula: C15H14N2O3S-2 MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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