2-(octylamino)-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(octylamino)-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(octylamino)-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-(octylamino)-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(octylamino)-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-keto-2-(octylamino)-1H-pyrimidine-5-carboxylic acid Formula: C13H21N3O3 MolecularWeight: 267.32414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3/c1-2-3-4-5-6-7-8-14-13-15-9-10(12(18)19)11(17)16-13/h9H,2-8H2,1H3,(H,18,19)(H2,14,15,16,17)