3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-(2-methoxyethoxy)-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-(2-methoxyethoxy)-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-(2-methoxyethoxy)-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-(2-methoxyethoxy)-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-(2-methoxyethoxy)-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 3-azabicyclo[2.2.0]hexane; [2-ethynyl-7-(2-methoxyethoxy)quinazolin-4-yl]-(3-methyl-4-phenoxy-phenyl)amine Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC3=C2C=CC(=C3)OCCOC)C#C)OC4=CC=CC=C4.C1CC2C1CN2

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=C2C=CC(=C3)OCCOC)C#C)OC4=CC=CC=C4.C1CC2C1CN2

InChI

InChI=1S/C26H23N3O3.C5H9N/c1-4-25-28-23-17-21(31-15-14-30-3)11-12-22(23)26(29-25)27-19-10-13-24(18(2)16-19)32-20-8-6-5-7-9-20;1-2-5-4(1)3-6-5/h1,5-13,16-17H,14-15H2,2-3H3,(H,27,28,29);4-6H,1-3H2