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

Systemtic Name: 5-methyl-7-oxidanidyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 6-benzyl-5-methyl-7-oxido-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5-methyl-7-oxido-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate IUPAC Name: 6-benzyl-5-methyl-7-oxido-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 6-benzyl-5-methyl-7-oxido-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Formula: C14H10N4O3-2 MolecularWeight: 282.2542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1CC3=CC=CC=C3)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1CC3=CC=CC=C3)[O-])C(=O)[O-]

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/h2-6,19H,7H2,1H3,(H,20,21)/p-2