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

Systemtic Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methyl-4-pyridin-2-yloxy-phenyl)quinazolin-4-amine Openeye Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[3-methyl-4-(2-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[3-methyl-4-(2-pyridinyloxy)phenyl]-4-quinazolinamine IUPAC Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methyl-4-pyridin-2-yloxyphenyl)quinazolin-4-amine Traditional Name: 3-azabicyclo[2.2.0]hexane; (2-ethynylquinazolin-4-yl)-[3-methyl-4-(2-pyridyloxy)phenyl]amine Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CC=CC=N4.C1CC2C1CN2

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CC=CC=N4.C1CC2C1CN2

InChI

InChI=1S/C22H16N4O.C5H9N/c1-3-20-25-18-9-5-4-8-17(18)22(26-20)24-16-11-12-19(15(2)14-16)27-21-10-6-7-13-23-21;1-2-5-4(1)3-6-5/h1,4-14H,2H3,(H,24,25,26);4-6H,1-3H2