5-bromanyl-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione; iron(2+)

Systemtic Name: 5-bromanyl-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione; iron(2+) Openeye Name: ferrous 5-bromo-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione CAS Name: 5-bromo-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione; iron(2+) IUPAC Name: 5-bromo-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione; iron(2+) Traditional Name: ferrous 5-bromo-1-(4-cyclopentylbutyl)pyrimidine-2,4-quinone Formula: C26H28Br2FeN4O4+2 MolecularWeight: 676.17792

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][C]([CH]1)CCCCN2C=C(C(=O)NC2=O)Br.[CH]1[CH][CH][C]([CH]1)CCCCN2C=C(C(=O)NC2=O)Br.[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][C]([CH]1)CCCCN2C=C(C(=O)NC2=O)Br.[CH]1[CH][CH][C]([CH]1)CCCCN2C=C(C(=O)NC2=O)Br.[Fe+2]

InChI

InChI=1S/2C13H14BrN2O2.Fe/c2*14-11-9-16(13(18)15-12(11)17)8-4-3-7-10-5-1-2-6-10;/h2*1-2,5-6,9H,3-4,7-8H2,(H,15,17,18);/q;;+2