4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine

Systemtic Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; N-[1-(benzenesulfonyl)indol-5-yl]-2-ethynyl-quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; N-[1-(benzenesulfonyl)-5-indolyl]-2-ethynyl-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; N-[1-(benzenesulfonyl)indol-5-yl]-2-ethynylquinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; (1-besylindol-5-yl)-(2-ethynylquinazolin-4-yl)amine Formula: C29H25N5O2S MolecularWeight: 507.6061

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5.C1CNC2C1C2

Isomeric SMILES

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5.C1CNC2C1C2

InChI

InChI=1S/C24H16N4O2S.C5H9N/c1-2-23-26-21-11-7-6-10-20(21)24(27-23)25-18-12-13-22-17(16-18)14-15-28(22)31(29,30)19-8-4-3-5-9-19;1-2-6-5-3-4(1)5/h1,3-16H,(H,25,26,27);4-6H,1-3H2