5-azanyl-6-cyano-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 5-azanyl-6-cyano-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-amino-6-cyano-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5-amino-6-cyano-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 5-amino-6-cyano-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-amino-6-cyano-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C13H10N6O2 MolecularWeight: 282.2575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)C(=O)O)N)C#N

InChI

InChI=1S/C13H10N6O2/c14-6-8-9(7-4-2-1-3-5-7)19-13(16-10(8)15)17-11(18-19)12(20)21/h1-5,9H,15H2,(H,20,21)(H,16,17,18)