2-[2,5-bis(2-methylbutan-2-yl)phenoxy]-6-bromanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-[2,5-bis(2-methylbutan-2-yl)phenoxy]-6-bromanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-[2,5-bis(1,1-dimethylpropyl)phenoxy]-6-bromo-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-[2,5-bis(2-methylbutan-2-yl)phenoxy]-6-bromo-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-[2,5-bis(2-methylbutan-2-yl)phenoxy]-6-bromo-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-bromo-2-(2,5-ditert-amylphenoxy)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C22H29BrN4O2 MolecularWeight: 461.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)C(C)(C)CC)OC2=NC3=NC(=C(C(=O)N3N2)Br)C

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)C(C)(C)CC)OC2=NC3=NC(=C(C(=O)N3N2)Br)C

InChI

InChI=1S/C22H29BrN4O2/c1-8-21(4,5)14-10-11-15(22(6,7)9-2)16(12-14)29-20-25-19-24-13(3)17(23)18(28)27(19)26-20/h10-12H,8-9H2,1-7H3,(H,24,25,26)