N-[5-chloranyl-7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxy-quinazolin-4-amine

Systemtic Name: N-[5-chloranyl-7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxy-quinazolin-4-amine Openeye Name: N-[5-chloro-7-[2-(2-pyridyl)ethynyl]-1,3-benzodioxol-4-yl]-5-isopropoxy-7-(3-morpholinopropoxy)quinazolin-4-amine CAS Name: N-[5-chloro-7-[2-(2-pyridinyl)ethynyl]-1,3-benzodioxol-4-yl]-7-[3-(4-morpholinyl)propoxy]-5-propan-2-yloxy-4-quinazolinamine IUPAC Name: N-[5-chloro-7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine Traditional Name: [5-chloro-7-[2-(2-pyridyl)ethynyl]-1,3-benzodioxol-4-yl]-[5-isopropoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine Formula: C32H32ClN5O5 MolecularWeight: 602.07998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=CC(=C1)OCCCN3CCOCC3)N=CN=C2NC4=C(C=C(C5=C4OCO5)C#CC6=CC=CC=N6)Cl

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1)OCCCN3CCOCC3)N=CN=C2NC4=C(C=C(C5=C4OCO5)C#CC6=CC=CC=N6)Cl

InChI

InChI=1S/C32H32ClN5O5/c1-21(2)43-27-18-24(40-13-5-10-38-11-14-39-15-12-38)17-26-28(27)32(36-19-35-26)37-29-25(33)16-22(30-31(29)42-20-41-30)7-8-23-6-3-4-9-34-23/h3-4,6,9,16-19,21H,5,10-15,20H2,1-2H3,(H,35,36,37)