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

Systemtic Name: 3-[4,6-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxidanylidene-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[4,6-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxo-pyrimidin-5-yl]propanoic acid CAS Name: 3-[4,6-dimethyl-1-(1-methyl-4-pyrazolyl)-2-oxo-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[4,6-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxopyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-keto-4,6-dimethyl-1-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propionic acid Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1C2=CN(N=C2)C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1C2=CN(N=C2)C)C)CCC(=O)O

InChI

InChI=1S/C13H16N4O3/c1-8-11(4-5-12(18)19)9(2)17(13(20)15-8)10-6-14-16(3)7-10/h6-7H,4-5H2,1-3H3,(H,18,19)