(2R)-3-methyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: (2R)-3-methyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: (2R)-3-methyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: (2R)-3-methyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: (2R)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-3-methyl-butyric acid Formula: C12H18N2O3S MolecularWeight: 270.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C(C)C)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C(C)C)C(=O)O

InChI

InChI=1S/C12H18N2O3S/c1-4-5-8-6-9(15)14-12(13-8)18-10(7(2)3)11(16)17/h6-7,10H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)/t10-/m1/s1