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

Systemtic Name: N-[5-bromanyl-7-(3-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Openeye Name: N-[5-bromo-7-(3-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-amine CAS Name: N-[5-bromo-7-(3-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinamine IUPAC Name: N-[5-bromo-7-(3-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Traditional Name: [5-bromo-7-(3-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine Formula: C28H31BrN4O6 MolecularWeight: 599.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31BrN4O6/c1-18(34-2)5-6-19-13-21(29)25(27-26(19)38-17-39-27)32-28-20-14-23(35-3)24(15-22(20)30-16-31-28)37-10-4-7-33-8-11-36-12-9-33/h13-16,18H,4,7-12,17H2,1-3H3,(H,30,31,32)