ethyl 7-azanyl-5-oxidanylidene-1-phenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate

Systemtic Name: ethyl 7-azanyl-5-oxidanylidene-1-phenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate Openeye Name: ethyl 7-amino-5-oxo-1-phenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate CAS Name: 7-amino-5-oxo-1-phenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-5-oxo-1-phenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate Traditional Name: 7-amino-5-keto-1-phenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylic acid ethyl ester Formula: C14H14N5O3+ MolecularWeight: 300.29266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+]2C(=O)C=C(N=C2N(N1)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=[N+]2C(=O)C=C(N=C2N(N1)C3=CC=CC=C3)N

InChI

InChI=1S/C14H13N5O3/c1-2-22-13(21)12-17-19(9-6-4-3-5-7-9)14-16-10(15)8-11(20)18(12)14/h3-8H,2H2,1H3,(H2,15,20)/p+1