(4-propanoylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: (4-propanoylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: (4-propanoylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (4-propionylphenyl) ester Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=NN3C(=CC=NC3=N2)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=NN3C(=CC=NC3=N2)C

InChI

InChI=1S/C16H14N4O3/c1-3-13(21)11-4-6-12(7-5-11)23-15(22)14-18-16-17-9-8-10(2)20(16)19-14/h4-9H,3H2,1-2H3