4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazoline-2-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazoline-2-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazoline-2-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazoline-2-carboxylic acid Traditional Name: 6-chloro-4-(piperonylamino)quinazoline-2-carboxylic acid Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O4/c18-10-2-3-12-11(6-10)15(21-16(20-12)17(22)23)19-7-9-1-4-13-14(5-9)25-8-24-13/h1-6H,7-8H2,(H,22,23)(H,19,20,21)