2-(hexadecylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(hexadecylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-(hexadecylamino)pyrimidine-5-carboxylic acid CAS Name: 2-(hexadecylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(hexadecylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-(cetylamino)pyrimidine-5-carboxylic acid Formula: C21H37N3O2 MolecularWeight: 363.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=C(C=N1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=C(C=N1)C(=O)O

InChI

InChI=1S/C21H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-21-23-17-19(18-24-21)20(25)26/h17-18H,2-16H2,1H3,(H,25,26)(H,22,23,24)