ethyl 7-oxidanylidene-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-oxidanylidene-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N=C(NN2C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C2N=C(NN2C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c1-2-23-15(22)12-10-17-16-18-13(19-20(16)14(12)21)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,18,19)