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

Systemtic Name: 3-[4,6-dimethyl-2-oxidanylidene-1-(pyridin-3-ylmethyl)pyrimidin-5-yl]propanoic acid Openeye Name: 3-[4,6-dimethyl-2-oxo-1-(3-pyridylmethyl)pyrimidin-5-yl]propanoic acid CAS Name: 3-[4,6-dimethyl-2-oxo-1-(3-pyridinylmethyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[4,6-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-keto-4,6-dimethyl-1-(3-pyridylmethyl)pyrimidin-5-yl]propionic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1CC2=CN=CC=C2)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1CC2=CN=CC=C2)C)CCC(=O)O

InChI

InChI=1S/C15H17N3O3/c1-10-13(5-6-14(19)20)11(2)18(15(21)17-10)9-12-4-3-7-16-8-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,20)