7-methyl-5-[4-[(2S)-pentan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 7-methyl-5-[4-[(2S)-pentan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 7-methyl-5-[4-[(1S)-1-methylbutoxy]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 7-methyl-5-[4-[(2S)-pentan-2-yl]oxyphenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 7-methyl-5-[4-[(2S)-pentan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 7-methyl-5-[4-[(1S)-1-methylbutoxy]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C19H20N3O3- MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C)C(=O)[O-]

Isomeric SMILES

CCC[C@H](C)OC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C)C(=O)[O-]

InChI

InChI=1S/C19H21N3O3/c1-4-5-13(3)25-15-8-6-14(7-9-15)16-10-12(2)22-18(20-16)11-17(21-22)19(23)24/h6-11,13H,4-5H2,1-3H3,(H,23,24)/p-1/t13-/m0/s1