2-(6-methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoate

Systemtic Name: 2-(6-methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoate Openeye Name: 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(pentylthio)-1H-pyrimidin-5-yl]acetate IUPAC Name: 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(amylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetate Formula: C12H17N2O3S- MolecularWeight: 269.33998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC(=O)[O-]

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC(=O)[O-]

InChI

InChI=1S/C12H18N2O3S/c1-3-4-5-6-18-12-13-8(2)9(7-10(15)16)11(17)14-12/h3-7H2,1-2H3,(H,15,16)(H,13,14,17)/p-1