ethyl 3-cyano-6-ethanoyl-7-(2-ethoxy-2-oxidanylidene-ethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: ethyl 3-cyano-6-ethanoyl-7-(2-ethoxy-2-oxidanylidene-ethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-3-cyano-7-(2-ethoxy-2-oxo-ethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-3-cyano-7-(2-ethoxy-2-oxoethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-3-cyano-7-(2-ethoxy-2-oxoethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-3-cyano-7-(2-ethoxy-2-keto-ethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(=O)OCC

InChI

InChI=1S/C16H18N4O5/c1-4-24-13(22)6-16(15(23)25-5-2)12(10(3)21)9-18-14-11(7-17)8-19-20(14)16/h8-9,19H,4-6H2,1-3H3