2-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-1-[3-bromanyl-5-(dimethylamino)-4-methoxy-phenyl]ethanone

Systemtic Name: 2-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-1-[3-bromanyl-5-(dimethylamino)-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-bromo-5-(dimethylamino)-4-methoxy-phenyl]-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone CAS Name: 1-[3-bromo-5-(dimethylamino)-4-methoxyphenyl]-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone IUPAC Name: 1-[3-bromo-5-(dimethylamino)-4-methoxyphenyl]-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone Traditional Name: 1-[3-bromo-5-(dimethylamino)-4-methoxy-phenyl]-2-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)ethanone Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2/c1-25(2)17-9-14(8-15(22)20(17)28-3)18(27)11-26-10-13-6-7-16(12-4-5-12)24-19(13)21(26)23/h6-9,12,23H,4-5,10-11H2,1-3H3