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

Systemtic Name: 4-[(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 4-[(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 4-[(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 4-[(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 4-[(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3/c1-11-6-16-20(12(2)7-17(23)21(16)19-11)9-14(22)10-24-15-5-3-4-13(18)8-15/h3-8,14,22H,9-10H2,1-2H3/t14-/m0/s1