N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(6-iodanylhexoxy)quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(6-iodanylhexoxy)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(6-iodohexoxy)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(6-iodohexoxy)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(6-iodohexoxy)quinazolin-4-amine Traditional Name: [6-chloro-2-(6-iodohexoxy)quinazolin-4-yl]-piperonyl-amine Formula: C22H23ClIN3O3 MolecularWeight: 539.79379

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCCCCCCI

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCCCCCCI

InChI

InChI=1S/C22H23ClIN3O3/c23-16-6-7-18-17(12-16)21(27-22(26-18)28-10-4-2-1-3-9-24)25-13-15-5-8-19-20(11-15)30-14-29-19/h5-8,11-12H,1-4,9-10,13-14H2,(H,25,26,27)