2-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl benzoate

Systemtic Name: 2-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl benzoate Openeye Name: 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl benzoate CAS Name: benzoic acid 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl ester IUPAC Name: 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl benzoate Traditional Name: benzoic acid 2-(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl ester Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3/c1-10-12(13(20)19-15(18-10)16-9-17-19)7-8-22-14(21)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,17,18)