[2,6-bis(azanyl)pyrimidin-4-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2,6-bis(azanyl)pyrimidin-4-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: (2,6-diaminopyrimidin-4-yl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (2,6-diamino-4-pyrimidinyl) ester IUPAC Name: (2,6-diaminopyrimidin-4-yl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (2,6-diaminopyrimidin-4-yl) ester Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=NC(=NC(=C3)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=NC(=NC(=C3)N)N

InChI

InChI=1S/C12H10N4O4/c13-9-4-10(16-12(14)15-9)20-11(17)6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H4,13,14,15,16)