3-[2-(2-methoxyethylsulfanyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-(2-methoxyethylsulfanyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-(2-methoxyethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-(2-methoxyethylthio)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-(2-methoxyethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-(2-methoxyethylthio)-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC)CCC(=O)O

InChI

InChI=1S/C11H16N2O4S/c1-7-8(3-4-9(14)15)10(16)13-11(12-7)18-6-5-17-2/h3-6H2,1-2H3,(H,14,15)(H,12,13,16)