N-[5-bromanyl-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-[5-bromanyl-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Openeye Name: N-[5-bromo-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-amine CAS Name: N-[5-bromo-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinamine IUPAC Name: N-[5-bromo-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Traditional Name: [5-bromo-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine Formula: C27H29BrN4O6 MolecularWeight: 585.44636

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)Br

Isomeric SMILES

COCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)Br

InChI

InChI=1S/C27H29BrN4O6/c1-33-9-3-5-18-13-20(28)24(26-25(18)37-17-38-26)31-27-19-14-22(34-2)23(15-21(19)29-16-30-27)36-10-4-6-32-7-11-35-12-8-32/h13-16H,4,6-12,17H2,1-2H3,(H,29,30,31)