4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 4-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 4-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=CC(=N2)C)N1CC(COC3=C(C=C(C=C3)C(C)(C)C)C)O

Isomeric SMILES

CC1=CC(=O)N2C(=CC(=N2)C)N1C[C@@H](COC3=C(C=C(C=C3)C(C)(C)C)C)O

InChI

InChI=1S/C22H29N3O3/c1-14-9-17(22(4,5)6)7-8-19(14)28-13-18(26)12-24-16(3)11-21(27)25-20(24)10-15(2)23-25/h7-11,18,26H,12-13H2,1-6H3/t18-/m0/s1