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

Systemtic Name: 2-(7-azanylidene-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-1-(3-cyclopentyl-5-methyl-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 1-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide CAS Name: 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide IUPAC Name: 1-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide Traditional Name: 1-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-2-(7-imino-2-methyl-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone hydrobromide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CN(C2=N)CC(=O)C3=CC(=C(C(=C3)C)O)C4CCCC4)C=C1.Br

Isomeric SMILES

CC1=NC2=C(CN(C2=N)CC(=O)C3=CC(=C(C(=C3)C)O)C4CCCC4)C=C1.Br

InChI

InChI=1S/C22H25N3O2.BrH/c1-13-9-17(10-18(21(13)27)15-5-3-4-6-15)19(26)12-25-11-16-8-7-14(2)24-20(16)22(25)23;/h7-10,15,23,27H,3-6,11-12H2,1-2H3;1H