4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-ethynyl-4-pyridin-3-yloxy-phenyl)quinazolin-4-amine

Systemtic Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-ethynyl-4-pyridin-3-yloxy-phenyl)quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-ethynyl-4-(3-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-ethynyl-4-(3-pyridinyloxy)phenyl]-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-ethynyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; [3-ethynyl-4-(3-pyridyloxy)phenyl]-(2-ethynylquinazolin-4-yl)amine Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CN=CC=C4.C1CNC2C1C2

Isomeric SMILES

C#CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CN=CC=C4.C1CNC2C1C2

InChI

InChI=1S/C23H14N4O.C5H9N/c1-3-16-14-17(11-12-21(16)28-18-8-7-13-24-15-18)25-23-19-9-5-6-10-20(19)26-22(4-2)27-23;1-2-6-5-3-4(1)5/h1-2,5-15H,(H,25,26,27);4-6H,1-3H2