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

Systemtic Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methyl-4-pyridin-4-yloxy-phenyl)quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-methyl-4-(4-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)quinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; (2-ethynylquinazolin-4-yl)-[3-methyl-4-(4-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=NC=C4.C1CNC2C1C2

Isomeric SMILES

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

InChI

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