2-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]quinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane

Systemtic Name: 2-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]quinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane Openeye Name: 2-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]quinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane CAS Name: 2-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]-4-quinazolinamine; 6-oxa-3-azabicyclo[3.1.0]hexane IUPAC Name: 2-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]quinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane Traditional Name: (2-ethynylquinazolin-4-yl)-[4-(3-methoxyphenoxy)phenyl]amine; 6-oxa-3-azabicyclo[3.1.0]hexane Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C#C.C1C2C(O2)CN1

Isomeric SMILES

COC1=CC=CC(=C1)OC2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C#C.C1C2C(O2)CN1

InChI

InChI=1S/C23H17N3O2.C4H7NO/c1-3-22-25-21-10-5-4-9-20(21)23(26-22)24-16-11-13-17(14-12-16)28-19-8-6-7-18(15-19)27-2;1-3-4(6-3)2-5-1/h1,4-15H,2H3,(H,24,25,26);3-5H,1-2H2