methyl 2-(cyanoamino)-5-hexadecyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(cyanoamino)-5-hexadecyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 2-(cyanoamino)-5-hexadecyl-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-(cyanoamino)-5-hexadecyl-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyanoamino)-5-hexadecyl-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-cetyl-2-(cyanoamino)-4-keto-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C23H38N4O3 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(NC(=NC1=O)NC#N)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(NC(=NC1=O)NC#N)C(=O)OC

InChI

InChI=1S/C23H38N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22(29)30-2)26-23(25-18-24)27-21(19)28/h3-17H2,1-2H3,(H2,25,26,27,28)