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

Systemtic Name: 3-[4,6-dimethyl-2-oxidanylidene-1-(1H-pyrazol-4-yl)pyrimidin-5-yl]propanoic acid Openeye Name: 3-[4,6-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)pyrimidin-5-yl]propanoic acid CAS Name: 3-[4,6-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[4,6-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-keto-4,6-dimethyl-1-(1H-pyrazol-4-yl)pyrimidin-5-yl]propionic acid Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1C2=CNN=C2)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1C2=CNN=C2)C)CCC(=O)O

InChI

InChI=1S/C12H14N4O3/c1-7-10(3-4-11(17)18)8(2)16(12(19)15-7)9-5-13-14-6-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,17,18)