6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-1H-pyrimidin-4-one Traditional Name: 5-nitro-6-(piperonylamino)-1H-pyrimidin-4-one Formula: C12H10N4O5 MolecularWeight: 290.2316

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5/c17-12-10(16(18)19)11(14-5-15-12)13-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,5H,4,6H2,(H2,13,14,15,17)