3-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxidanylidene-5H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxidanylidene-5H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-(2-isobutylsulfanyl-4-methyl-6-oxo-5H-pyrimidin-5-yl)propanoic acid CAS Name: 3-[4-methyl-2-(2-methylpropylthio)-6-oxo-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxo-5H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-(isobutylthio)-4-keto-6-methyl-5H-pyrimidin-5-yl]propionic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C1CCC(=O)O)SCC(C)C

Isomeric SMILES

CC1=NC(=NC(=O)C1CCC(=O)O)SCC(C)C

InChI

InChI=1S/C12H18N2O3S/c1-7(2)6-18-12-13-8(3)9(11(17)14-12)4-5-10(15)16/h7,9H,4-6H2,1-3H3,(H,15,16)