4-(3,5-dimethylphenoxy)-2-methyl-pyrimidine-5-carboxylate

Systemtic Name: 4-(3,5-dimethylphenoxy)-2-methyl-pyrimidine-5-carboxylate Openeye Name: 4-(3,5-dimethylphenoxy)-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-(3,5-dimethylphenoxy)-2-methyl-5-pyrimidinecarboxylate IUPAC Name: 4-(3,5-dimethylphenoxy)-2-methylpyrimidine-5-carboxylate Traditional Name: 4-(3,5-dimethylphenoxy)-2-methyl-pyrimidine-5-carboxylate Formula: C14H13N2O3- MolecularWeight: 257.26462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC(=NC=C2C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=NC=C2C(=O)[O-])C)C

InChI

InChI=1S/C14H14N2O3/c1-8-4-9(2)6-11(5-8)19-13-12(14(17)18)7-15-10(3)16-13/h4-7H,1-3H3,(H,17,18)/p-1