2-(octylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(octylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-(octylamino)pyrimidine-5-carboxylic acid CAS Name: 2-(octylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(octylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-(octylamino)pyrimidine-5-carboxylic acid Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC=C(C=N1)C(=O)O

Isomeric SMILES

CCCCCCCCNC1=NC=C(C=N1)C(=O)O

InChI

InChI=1S/C13H21N3O2/c1-2-3-4-5-6-7-8-14-13-15-9-11(10-16-13)12(17)18/h9-10H,2-8H2,1H3,(H,17,18)(H,14,15,16)