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

Systemtic Name: 1-[7-(4-bromanyl-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carbonitrile Openeye Name: 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carbonitrile CAS Name: 1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carbonitrile Traditional Name: 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]isonipecotonitrile Formula: C22H24BrN5 MolecularWeight: 438.36346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCC(CC4)C#N)C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCC(CC4)C#N)C)C)C)Br

InChI

InChI=1S/C22H24BrN5/c1-13-9-18(23)10-14(2)20(13)28-12-15(3)19-21(25-16(4)26-22(19)28)27-7-5-17(11-24)6-8-27/h9-10,12,17H,5-8H2,1-4H3