3-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione

Systemtic Name: 3-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione Openeye Name: 3-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione CAS Name: 3-[(5-tert-butyl-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]pentane-2,4-dione IUPAC Name: 3-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione Traditional Name: 3-[(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]pentane-2,4-dione Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-13-19(16-10-8-7-9-11-16)21-23-17(22(4,5)6)12-18(25(21)24-13)28-20(14(2)26)15(3)27/h7-12,20H,1-6H3