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

Systemtic Name: 1-[7-(4-bromanyl-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-3-carbonitrile Openeye Name: 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-3-carbonitrile CAS Name: 1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]-3-pyrrolidinecarbonitrile IUPAC Name: 1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-3-carbonitrile Traditional Name: 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-3-carbonitrile Formula: C21H22BrN5 MolecularWeight: 424.33688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCC(C4)C#N)C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCC(C4)C#N)C)C)C)Br

InChI

InChI=1S/C21H22BrN5/c1-12-7-17(22)8-13(2)19(12)27-10-14(3)18-20(24-15(4)25-21(18)27)26-6-5-16(9-23)11-26/h7-8,10,16H,5-6,11H2,1-4H3