(2R)-2-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: (2R)-2-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: (2R)-2-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: (2R)-2-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: (2R)-2-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: (2R)-2-[(6-butyl-4-keto-1H-pyrimidin-2-yl)thio]propionic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)SC(C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)S[C@H](C)C(=O)O

InChI

InChI=1S/C11H16N2O3S/c1-3-4-5-8-6-9(14)13-11(12-8)17-7(2)10(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)/t7-/m1/s1