6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]amino]hexanoic acid

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]amino]hexanoic acid Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]amino]hexanoic acid CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]amino]hexanoic acid IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]amino]hexanoic acid Traditional Name: 6-[[6-chloro-4-(piperonylamino)quinazolin-2-yl]amino]hexanoic acid Formula: C22H23ClN4O4 MolecularWeight: 442.89542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4/c23-15-6-7-17-16(11-15)21(25-12-14-5-8-18-19(10-14)31-13-30-18)27-22(26-17)24-9-3-1-2-4-20(28)29/h5-8,10-11H,1-4,9,12-13H2,(H,28,29)(H2,24,25,26,27)