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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=C(C(=N2)C)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=C(C(=N2)C)CCC(=O)O)C

InChI

InChI=1S/C13H16N4O3/c1-7-6-11(18)15-13(14-7)17-9(3)10(8(2)16-17)4-5-12(19)20/h6H,4-5H2,1-3H3,(H,19,20)(H,14,15,18)