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

Systemtic Name: 2-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-fluoranylbenzoate Openeye Name: 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic 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 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid 2-(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl ester Formula: C15H13FN4O3 MolecularWeight: 316.287123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C15H13FN4O3/c1-9-10(13(21)20-15(19-9)17-8-18-20)6-7-23-14(22)11-4-2-3-5-12(11)16/h2-5,8H,6-7H2,1H3,(H,17,18,19)