ethyl 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[2-(4-tert-butylphenyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H25N3O3/c1-6-27-19(25)11-16-13(2)22-18-12-17(23-24(18)20(16)26)14-7-9-15(10-8-14)21(3,4)5/h7-10,12,23H,6,11H2,1-5H3