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

Systemtic Name: (4-phenylphenyl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: (4-phenylphenyl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (4-phenylbenzyl) ester Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4O2/c1-14-12-15(2)25-21(22-14)23-19(24-25)20(26)27-13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3