2-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-1-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-yl-phenyl)ethanone hydrobromide

Systemtic Name: 2-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-1-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-yl-phenyl)ethanone hydrobromide Openeye Name: 1-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-yl-phenyl)-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide CAS Name: 1-[3-tert-butyl-4-methoxy-5-(1-pyrrolidinyl)phenyl]-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide IUPAC Name: 1-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-ylphenyl)-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide Traditional Name: 1-(3-tert-butyl-4-methoxy-5-pyrrolidino-phenyl)-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide Formula: C27H35BrN4O2 MolecularWeight: 527.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=C(C2=N)N=C(C=C3)C4CC4)N5CCCC5)OC.Br

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=C(C2=N)N=C(C=C3)C4CC4)N5CCCC5)OC.Br

InChI

InChI=1S/C27H34N4O2.BrH/c1-27(2,3)20-13-19(14-22(25(20)33-4)30-11-5-6-12-30)23(32)16-31-15-18-9-10-21(17-7-8-17)29-24(18)26(31)28;/h9-10,13-14,17,28H,5-8,11-12,15-16H2,1-4H3;1H