tert-butyl 6-(2-hydroxyethyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 6-(2-hydroxyethyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: tert-butyl 6-(2-hydroxyethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 6-(2-hydroxyethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-hydroxyethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 6-(2-hydroxyethyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid tert-butyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=O)N2C(=N1)C=CN2)CCO

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=O)N2C(=N1)C=CN2)CCO

InChI

InChI=1S/C13H17N3O4/c1-13(2,3)20-12(19)10-8(5-7-17)11(18)16-9(15-10)4-6-14-16/h4,6,14,17H,5,7H2,1-3H3