(2R)-2-[(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: (2R)-2-[(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: (2R)-2-[(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)thio]butanoate IUPAC Name: (2R)-2-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(6-isopropyl-4-keto-1H-pyrimidin-2-yl)thio]butyrate Formula: C11H15N2O3S- MolecularWeight: 255.3134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=O)C=C(N1)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O3S/c1-4-8(10(15)16)17-11-12-7(6(2)3)5-9(14)13-11/h5-6,8H,4H2,1-3H3,(H,15,16)(H,12,13,14)/p-1/t8-/m1/s1