ethyl 6-ethanoyl-5-oxidanylidene-1-phenyl-7-phenylazanyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 6-ethanoyl-5-oxidanylidene-1-phenyl-7-phenylazanyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: ethyl 6-acetyl-7-anilino-5-oxo-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate CAS Name: 6-acetyl-7-anilino-5-oxo-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-7-anilino-5-oxo-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Traditional Name: 6-acetyl-7-anilino-5-keto-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C(=O)C)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C(=O)C)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4/c1-3-31-21(30)19-25-27(16-12-8-5-9-13-16)22-24-18(23-15-10-6-4-7-11-15)17(14(2)28)20(29)26(19)22/h4-13,23H,3H2,1-2H3