ethyl 7-oxidanylidene-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-oxidanylidene-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N=C(NN2C1=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C2N=C(NN2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3/c1-2-21-13(20)10-8-15-14-16-11(17-18(14)12(10)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16,17)