2-(7-azanylidene-2-ethyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide

Systemtic Name: 2-(7-azanylidene-2-ethyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2-ethyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2-ethyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2-ethyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2-ethyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide Formula: C25H34BrN3O2 MolecularWeight: 488.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(CN(C2=N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C=C1.Br

Isomeric SMILES

CCC1=NC2=C(CN(C2=N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C=C1.Br

InChI

InChI=1S/C25H33N3O2.BrH/c1-8-17-10-9-15-13-28(23(26)21(15)27-17)14-20(29)16-11-18(24(2,3)4)22(30)19(12-16)25(5,6)7;/h9-12,26,30H,8,13-14H2,1-7H3;1H