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

Systemtic Name: (3-cyanophenyl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: (3-cyanophenyl)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 (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)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 (3-cyanobenzyl) ester Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O2/c1-10-6-11(2)21-16(18-10)19-14(20-21)15(22)23-9-13-5-3-4-12(7-13)8-17/h3-7H,9H2,1-2H3