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

Systemtic Name: 1-[7-(4-bromanyl-2,6-diethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile Openeye Name: 1-[7-(4-bromo-2,6-diethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile CAS Name: 1-[7-(4-bromo-2,6-diethylphenyl)-2,5-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]-3-piperidinecarbonitrile IUPAC Name: 1-[7-(4-bromo-2,6-diethylphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile Traditional Name: 1-[7-(4-bromo-2,6-diethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]nipecotonitrile Formula: C24H28BrN5 MolecularWeight: 466.41662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCCC(C4)C#N)C)C)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCCC(C4)C#N)C)C)CC)Br

InChI

InChI=1S/C24H28BrN5/c1-5-18-10-20(25)11-19(6-2)22(18)30-13-15(3)21-23(27-16(4)28-24(21)30)29-9-7-8-17(12-26)14-29/h10-11,13,17H,5-9,14H2,1-4H3