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

Systemtic Name: N-[5-chloranyl-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(4-morpholin-4-ylbutoxy)quinazolin-4-amine Openeye Name: N-[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(4-morpholinobutoxy)quinazolin-4-amine CAS Name: N-[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-[4-(4-morpholinyl)butoxy]-4-quinazolinamine IUPAC Name: N-[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-6-methoxy-7-(4-morpholin-4-ylbutoxy)quinazolin-4-amine Traditional Name: [5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]-[6-methoxy-7-(4-morpholinobutoxy)quinazolin-4-yl]amine Formula: C28H31ClN4O6 MolecularWeight: 555.02194

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCCN5CCOCC5)Cl

Isomeric SMILES

COCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCCN5CCOCC5)Cl

InChI

InChI=1S/C28H31ClN4O6/c1-34-10-5-6-19-14-21(29)25(27-26(19)38-18-39-27)32-28-20-15-23(35-2)24(16-22(20)30-17-31-28)37-11-4-3-7-33-8-12-36-13-9-33/h14-17H,3-4,7-13,18H2,1-2H3,(H,30,31,32)