2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanoic acid Openeye Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetic acid CAS Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetic acid Traditional Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=O)O

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=O)O

InChI

InChI=1S/C19H21N3O2S/c1-12-17(13-8-6-5-7-9-13)18-20-14(19(2,3)4)10-15(22(18)21-12)25-11-16(23)24/h5-10H,11H2,1-4H3,(H,23,24)