ethyl 5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate CAS Name: 5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Traditional Name: 5-keto-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O3/c1-2-27-19(26)18-22-24(15-11-7-4-8-12-15)20-21-16(13-17(25)23(18)20)14-9-5-3-6-10-14/h3-13H,2H2,1H3