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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]amino]acetic acid CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]amino]acetic acid IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]amino]acetic acid Traditional Name: 2-[[6-chloro-4-(piperonylamino)quinazolin-2-yl]amino]acetic acid Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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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)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O4/c19-11-2-3-13-12(6-11)17(23-18(22-13)21-8-16(24)25)20-7-10-1-4-14-15(5-10)27-9-26-14/h1-6H,7-9H2,(H,24,25)(H2,20,21,22,23)