N-[5-chloranyl-7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-[5-chloranyl-7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Openeye Name: N-[5-chloro-7-[2-(2-pyridyl)ethynyl]-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-amine CAS Name: N-[5-chloro-7-[2-(2-pyridinyl)ethynyl]-1,3-benzodioxol-4-yl]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinamine IUPAC Name: N-[5-chloro-7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Traditional Name: [5-chloro-7-[2-(2-pyridyl)ethynyl]-1,3-benzodioxol-4-yl]-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine Formula: C30H28ClN5O5 MolecularWeight: 574.02682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C4=C3OCO4)C#CC5=CC=CC=N5)Cl)OCCCN6CCOCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C4=C3OCO4)C#CC5=CC=CC=N5)Cl)OCCCN6CCOCC6

InChI

InChI=1S/C30H28ClN5O5/c1-37-25-16-22-24(17-26(25)39-12-4-9-36-10-13-38-14-11-36)33-18-34-30(22)35-27-23(31)15-20(28-29(27)41-19-40-28)6-7-21-5-2-3-8-32-21/h2-3,5,8,15-18H,4,9-14,19H2,1H3,(H,33,34,35)