3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methoxy-4-pyridin-3-yloxy-phenyl)quinazolin-4-amine

Systemtic Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methoxy-4-pyridin-3-yloxy-phenyl)quinazolin-4-amine Openeye Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[3-methoxy-4-(3-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[3-methoxy-4-(3-pyridinyloxy)phenyl]-4-quinazolinamine IUPAC Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methoxy-4-pyridin-3-yloxyphenyl)quinazolin-4-amine Traditional Name: 3-azabicyclo[2.2.0]hexane; (2-ethynylquinazolin-4-yl)-[3-methoxy-4-(3-pyridyloxy)phenyl]amine Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CN=CC=C4.C1CC2C1CN2

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CN=CC=C4.C1CC2C1CN2

InChI

InChI=1S/C22H16N4O2.C5H9N/c1-3-21-25-18-9-5-4-8-17(18)22(26-21)24-15-10-11-19(20(13-15)27-2)28-16-7-6-12-23-14-16;1-2-5-4(1)3-6-5/h1,4-14H,2H3,(H,24,25,26);4-6H,1-3H2