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

Systemtic Name: N-[5-chloranyl-7-(3-propan-2-yloxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Openeye Name: N-[5-chloro-7-(3-isopropoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-amine CAS Name: N-[5-chloro-7-(3-propan-2-yloxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinamine IUPAC Name: N-[5-chloro-7-(3-propan-2-yloxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Traditional Name: [5-chloro-7-(3-isopropoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine Formula: C29H33ClN4O6 MolecularWeight: 569.04852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)Cl

Isomeric SMILES

CC(C)OCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)Cl

InChI

InChI=1S/C29H33ClN4O6/c1-19(2)37-10-4-6-20-14-22(30)26(28-27(20)39-18-40-28)33-29-21-15-24(35-3)25(16-23(21)31-17-32-29)38-11-5-7-34-8-12-36-13-9-34/h14-17,19H,5,7-13,18H2,1-3H3,(H,31,32,33)