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

Systemtic Name: 2-(6-methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoic acid Openeye Name: 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetic acid CAS Name: 2-[6-methyl-4-oxo-2-(pentylthio)-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetic acid Traditional Name: 2-[2-(amylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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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)