ethyl 1,7-diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 1,7-diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: ethyl 1,7-diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate CAS Name: 1,7-diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1,7-diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Traditional Name: 1,7-diphenyl-8aH-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2N1C=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2N1C=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2/c1-2-26-19(25)18-22-24(16-11-7-4-8-12-16)20-21-17(13-14-23(18)20)15-9-5-3-6-10-15/h3-14,20H,2H2,1H3