4-[2-(2-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-[2-(2-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[2-(o-tolyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[2-(2-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[2-(2-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 4-[2-(o-tolyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine Formula: C15H11N3 MolecularWeight: 233.26794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CC2=C3C=CNC3=NC=N2

Isomeric SMILES

CC1=CC=CC=C1C#CC2=C3C=CNC3=NC=N2

InChI

InChI=1S/C15H11N3/c1-11-4-2-3-5-12(11)6-7-14-13-8-9-16-15(13)18-10-17-14/h2-5,8-10H,1H3,(H,16,17,18)