3-[4,6-dimethyl-2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[4,6-dimethyl-2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]propanoic acid Openeye Name: 3-[4,6-dimethyl-2-oxo-1-(2-thienylmethyl)pyrimidin-5-yl]propanoic acid CAS Name: 3-[4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-keto-4,6-dimethyl-1-(2-thenyl)pyrimidin-5-yl]propionic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-9-12(5-6-13(17)18)10(2)16(14(19)15-9)8-11-4-3-7-20-11/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)