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

Systemtic Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(2-ethoxyethyl)-4-keto-6-methyl-5H-pyrimidin-2-yl]thio]propionic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1C(=NC(=NC1=O)SC(C)C(=O)O)C

Isomeric SMILES

CCOCCC1C(=NC(=NC1=O)SC(C)C(=O)O)C

InChI

InChI=1S/C12H18N2O4S/c1-4-18-6-5-9-7(2)13-12(14-10(9)15)19-8(3)11(16)17/h8-9H,4-6H2,1-3H3,(H,16,17)