6-(3-bromanylphenoxy)-7-chloranyl-N-(3-ethynylphenyl)quinazolin-4-amine

Systemtic Name: 6-(3-bromanylphenoxy)-7-chloranyl-N-(3-ethynylphenyl)quinazolin-4-amine Openeye Name: 6-(3-bromophenoxy)-7-chloro-N-(3-ethynylphenyl)quinazolin-4-amine CAS Name: 6-(3-bromophenoxy)-7-chloro-N-(3-ethynylphenyl)-4-quinazolinamine IUPAC Name: 6-(3-bromophenoxy)-7-chloro-N-(3-ethynylphenyl)quinazolin-4-amine Traditional Name: [6-(3-bromophenoxy)-7-chloro-quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C22H13BrClN3O MolecularWeight: 450.71512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OC4=CC(=CC=C4)Br)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OC4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C22H13BrClN3O/c1-2-14-5-3-7-16(9-14)27-22-18-11-21(19(24)12-20(18)25-13-26-22)28-17-8-4-6-15(23)10-17/h1,3-13H,(H,25,26,27)