5-methyl-7-oxidanylidene-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 5-methyl-7-oxidanylidene-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5-methyl-7-oxo-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate IUPAC Name: 6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 6-benzyl-7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Formula: C14H11N4O3- MolecularWeight: 283.26214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3/c1-8-10(7-9-5-3-2-4-6-9)12(19)18-14(15-8)16-11(17-18)13(20)21/h2-6H,7H2,1H3,(H,20,21)(H,15,16,17)/p-1