4-[2-(4-bromanyl-2-propan-2-yl-phenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-[2-(4-bromanyl-2-propan-2-yl-phenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[2-(4-bromo-2-isopropyl-phenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[2-(4-bromo-2-propan-2-ylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[2-(4-bromo-2-propan-2-ylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 4-[2-(4-bromo-2-isopropyl-phenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine Formula: C17H14BrN3 MolecularWeight: 340.21716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)C#CC2=C3C=CNC3=NC=N2

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)C#CC2=C3C=CNC3=NC=N2

InChI

InChI=1S/C17H14BrN3/c1-11(2)15-9-13(18)5-3-12(15)4-6-16-14-7-8-19-17(14)21-10-20-16/h3,5,7-11H,1-2H3,(H,19,20,21)