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

Systemtic Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[4-(3-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[4-(3-pyridinyloxy)phenyl]-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; (2-ethynylquinazolin-4-yl)-[4-(3-pyridyloxy)phenyl]amine Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)OC4=CN=CC=C4.C1CNC2C1C2

Isomeric SMILES

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)OC4=CN=CC=C4.C1CNC2C1C2

InChI

InChI=1S/C21H14N4O.C5H9N/c1-2-20-24-19-8-4-3-7-18(19)21(25-20)23-15-9-11-16(12-10-15)26-17-6-5-13-22-14-17;1-2-6-5-3-4(1)5/h1,3-14H,(H,23,24,25);4-6H,1-3H2