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

Systemtic Name: 2-[4,6-dimethyl-2-oxidanylidene-1-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4,6-dimethyl-2-oxo-1-(3-pyridylmethyl)pyrimidin-5-yl]acetic acid CAS Name: 2-[4,6-dimethyl-2-oxo-1-(3-pyridinylmethyl)-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4,6-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-keto-4,6-dimethyl-1-(3-pyridylmethyl)pyrimidin-5-yl]acetic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c1-9-12(6-13(18)19)10(2)17(14(20)16-9)8-11-4-3-5-15-7-11/h3-5,7H,6,8H2,1-2H3,(H,18,19)