4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[4-(2-methylpyridin-3-yl)oxyphenyl]quinazolin-4-amine

Systemtic Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[4-(2-methylpyridin-3-yl)oxyphenyl]quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[4-[(2-methyl-3-pyridyl)oxy]phenyl]quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[4-(2-methylpyridin-3-yl)oxyphenyl]quinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; (2-ethynylquinazolin-4-yl)-[4-[(2-methyl-3-pyridyl)oxy]phenyl]amine Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)OC2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C#C.C1CNC2C1C2

Isomeric SMILES

CC1=C(C=CC=N1)OC2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C#C.C1CNC2C1C2

InChI

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