ethyl 7-methyl-5-[4-(3-methylbutoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 7-methyl-5-[4-(3-methylbutoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-(4-isopentyloxyphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-methyl-5-[4-(3-methylbutoxy)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-5-[4-(3-methylbutoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(4-isoamoxyphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C)C3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C)C3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C21H25N3O3/c1-5-26-21(25)18-13-22-24-15(4)12-19(23-20(18)24)16-6-8-17(9-7-16)27-11-10-14(2)3/h6-9,12-14H,5,10-11H2,1-4H3