(2S)-2-[(5-methyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid

Systemtic Name: (2S)-2-[(5-methyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: (2S)-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: (2S)-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: (2S)-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: (2S)-2-[(6-keto-5-methyl-1H-pyrimidin-2-yl)thio]butyric acid Formula: C9H12N2O3S MolecularWeight: 228.26818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC=C(C(=O)N1)C

Isomeric SMILES

CC[C@@H](C(=O)O)SC1=NC=C(C(=O)N1)C

InChI

InChI=1S/C9H12N2O3S/c1-3-6(8(13)14)15-9-10-4-5(2)7(12)11-9/h4,6H,3H2,1-2H3,(H,13,14)(H,10,11,12)/t6-/m0/s1