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

Systemtic Name: ethyl 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]amino]hexanoate Openeye Name: ethyl 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]amino]hexanoate CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]amino]hexanoate Traditional Name: 6-[[6-chloro-4-(piperonylamino)quinazolin-2-yl]amino]hexanoic acid ethyl ester Formula: C24H27ClN4O4 MolecularWeight: 470.94858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CCCCCNC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H27ClN4O4/c1-2-31-22(30)6-4-3-5-11-26-24-28-19-9-8-17(25)13-18(19)23(29-24)27-14-16-7-10-20-21(12-16)33-15-32-20/h7-10,12-13H,2-6,11,14-15H2,1H3,(H2,26,27,28,29)