2-methyl-3-(4-methyl-6-oxidanylidene-2-propylsulfanyl-5H-pyrimidin-5-yl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(C(=N1)C)CC(C)C(=O)O

Isomeric SMILES

CCCSC1=NC(=O)C(C(=N1)C)CC(C)C(=O)O

InChI

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