4-[2-(2-propan-2-ylphenyl)ethynyl]-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 4-[2-(2-propan-2-ylphenyl)ethynyl]-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-[2-(2-isopropylphenyl)ethynyl]-N-[4-(3-pyridyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-[2-(2-propan-2-ylphenyl)ethynyl]-N-[4-(3-pyridinyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine IUPAC Name: 4-[2-(2-propan-2-ylphenyl)ethynyl]-N-(4-pyridin-3-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-(2-o-cumenylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-[4-(3-pyridyl)phenyl]amine Formula: C28H23N5 MolecularWeight: 429.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C#CC2=C3C=CNC3=NC(=N2)NC4=CC=C(C=C4)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1C#CC2=C3C=CNC3=NC(=N2)NC4=CC=C(C=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H23N5/c1-19(2)24-8-4-3-6-21(24)11-14-26-25-15-17-30-27(25)33-28(32-26)31-23-12-9-20(10-13-23)22-7-5-16-29-18-22/h3-10,12-13,15-19H,1-2H3,(H2,30,31,32,33)