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

Systemtic Name: ethyl 3-ethyl-7-methyl-5-oxidanylidene-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-ethyl-7-methyl-5-oxo-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate CAS Name: 3-ethyl-7-methyl-5-oxo-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-7-methyl-5-oxo-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Traditional Name: 3-ethyl-5-keto-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=NC(=C(C(=O)N12)C(=O)OCC)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C2=NC(=C(C(=O)N12)C(=O)OCC)C)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3/c1-4-13-19-21(12-9-7-6-8-10-12)17-18-11(3)14(15(22)20(13)17)16(23)24-5-2/h6-10H,4-5H2,1-3H3