4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]quinazolin-4-amine

Systemtic Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]phenyl]quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]quinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; (2-ethynylquinazolin-4-yl)-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]phenyl]amine Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C#C)C.C1CNC2C1C2

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C#C)C.C1CNC2C1C2

InChI

InChI=1S/C23H18N4O.C5H9N/c1-4-22-26-20-8-6-5-7-19(20)23(27-22)25-17-10-12-21(15(2)13-17)28-18-11-9-16(3)24-14-18;1-2-6-5-3-4(1)5/h1,5-14H,2-3H3,(H,25,26,27);4-6H,1-3H2