N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-(3-piperazin-1-ylpropoxy)-5-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-oxanyloxy)-7-[3-(1-piperazinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[7-(3-piperazinopropoxy)-5-tetrahydropyran-4-yloxy-quinazolin-4-yl]amine Formula: C27H32ClN5O5 MolecularWeight: 542.02648

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1OC2=C3C(=CC(=C2)OCCCN4CCNCC4)N=CN=C3NC5=C(C=CC6=C5OCO6)Cl

Isomeric SMILES

C1COCCC1OC2=C3C(=CC(=C2)OCCCN4CCNCC4)N=CN=C3NC5=C(C=CC6=C5OCO6)Cl

InChI

InChI=1S/C27H32ClN5O5/c28-20-2-3-22-26(37-17-36-22)25(20)32-27-24-21(30-16-31-27)14-19(15-23(24)38-18-4-12-34-13-5-18)35-11-1-8-33-9-6-29-7-10-33/h2-3,14-16,18,29H,1,4-13,17H2,(H,30,31,32)