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

Systemtic Name: methyl 5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H14N4O3 MolecularWeight: 346.33946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O3/c1-26-18(25)17-21-23(14-10-6-3-7-11-14)19-20-15(12-16(24)22(17)19)13-8-4-2-5-9-13/h2-12H,1H3