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

Systemtic Name: ethyl 7-(chloromethyl)-3-cyano-6-ethanoyl-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-7-(chloromethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-7-(chloromethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-7-(chloromethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-7-(chloromethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C13H13ClN4O3 MolecularWeight: 308.72032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=CN=C2N1NC=C2C#N)C(=O)C)CCl

Isomeric SMILES

CCOC(=O)C1(C(=CN=C2N1NC=C2C#N)C(=O)C)CCl

InChI

InChI=1S/C13H13ClN4O3/c1-3-21-12(20)13(7-14)10(8(2)19)6-16-11-9(4-15)5-17-18(11)13/h5-6,17H,3,7H2,1-2H3