tert-butyl 7-chloranyl-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: tert-butyl 7-chloro-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 7-chloro-6-(2-chloroethyl)-5-pyrazolo[1,5-a]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 7-chloro-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid tert-butyl ester Formula: C13H15Cl2N3O2 MolecularWeight: 316.1831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC2=CC=NN2C(=C1CCCl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC2=CC=NN2C(=C1CCCl)Cl

InChI

InChI=1S/C13H15Cl2N3O2/c1-13(2,3)20-12(19)10-8(4-6-14)11(15)18-9(17-10)5-7-16-18/h5,7H,4,6H2,1-3H3