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

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

Systemtic Name:4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazoline-2-carboxylic acid
Openeye Name:4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazoline-2-carboxylic acid
CAS Name:4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-2-quinazolinecarboxylic acid
IUPAC Name:4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxyquinazoline-2-carboxylic acid
Traditional Name:6-methoxy-4-(piperonylamino)quinazoline-2-carboxylic acid
Formula: C18H15N3O5
MolecularWeight: 353.3288
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)C(=O)O


Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)C(=O)O


InChI

InChI=1S/C18H15N3O5/c1-24-11-3-4-13-12(7-11)16(21-17(20-13)18(22)23)19-8-10-2-5-14-15(6-10)26-9-25-14/h2-7H,8-9H2,1H3,(H,22,23)(H,19,20,21)


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