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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)quinazoline-6-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)quinazoline-6-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-quinazolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)quinazoline-6-carboxylic acid Traditional Name: 4-(piperonylamino)quinazoline-6-carboxylic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O4/c21-17(22)11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-14-15(5-10)24-9-23-14/h1-6,8H,7,9H2,(H,21,22)(H,18,19,20)