1-[7-(4-bromanyl-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]azepane-4-carbonitrile

Systemtic Name: 1-[7-(4-bromanyl-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]azepane-4-carbonitrile Openeye Name: 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]azepane-4-carbonitrile CAS Name: 1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-azepanecarbonitrile IUPAC Name: 1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]azepane-4-carbonitrile Traditional Name: 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]azepane-4-carbonitrile Formula: C23H26BrN5 MolecularWeight: 452.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCCC(CC4)C#N)C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCCC(CC4)C#N)C)C)C)Br

InChI

InChI=1S/C23H26BrN5/c1-14-10-19(24)11-15(2)21(14)29-13-16(3)20-22(26-17(4)27-23(20)29)28-8-5-6-18(12-25)7-9-28/h10-11,13,18H,5-9H2,1-4H3