2-[4,6-dimethyl-2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4,6-dimethyl-2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4,6-dimethyl-2-oxo-1-(2-thienylmethyl)pyrimidin-5-yl]acetic acid CAS Name: 2-[4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethyl)-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-keto-4,6-dimethyl-1-(2-thenyl)pyrimidin-5-yl]acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1CC2=CC=CS2)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1CC2=CC=CS2)C)CC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-8-11(6-12(16)17)9(2)15(13(18)14-8)7-10-4-3-5-19-10/h3-5H,6-7H2,1-2H3,(H,16,17)