(5E)-6-azanyl-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-pyrimidin-1-ium-2,4-dione

Systemtic Name: (5E)-6-azanyl-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-pyrimidin-1-ium-2,4-dione Openeye Name: (5E)-6-amino-5-(1,3-benzodioxol-5-ylmethylene)-3-methyl-pyrimidin-1-ium-2,4-dione CAS Name: (5E)-6-amino-5-(1,3-benzodioxol-5-ylmethylidene)-3-methylpyrimidin-1-ium-2,4-dione IUPAC Name: (5E)-6-amino-5-(1,3-benzodioxol-5-ylmethylidene)-3-methylpyrimidin-1-ium-2,4-dione Traditional Name: (5E)-6-amino-3-methyl-5-piperonylidene-pyrimidin-1-ium-2,4-quinone Formula: C13H12N3O4+ MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=[NH+]C1=O)N

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C(=[NH+]C1=O)N

InChI

InChI=1S/C13H11N3O4/c1-16-12(17)8(11(14)15-13(16)18)4-7-2-3-9-10(5-7)20-6-19-9/h2-5H,6H2,1H3,(H2,14,15,18)/p+1/b8-4+