5-heptylpyrimidine-2-carboxylic acid

Systemtic Name: 5-heptylpyrimidine-2-carboxylic acid Openeye Name: 5-heptylpyrimidine-2-carboxylic acid CAS Name: 5-heptyl-2-pyrimidinecarboxylic acid IUPAC Name: 5-heptylpyrimidine-2-carboxylic acid Traditional Name: 5-heptylpyrimidine-2-carboxylic acid Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C(=O)O

InChI

InChI=1S/C12H18N2O2/c1-2-3-4-5-6-7-10-8-13-11(12(15)16)14-9-10/h8-9H,2-7H2,1H3,(H,15,16)