cyclopentane; 6-(2-cyclopentylethynyl)-7H-purine; iron(2+)

Systemtic Name: cyclopentane; 6-(2-cyclopentylethynyl)-7H-purine; iron(2+) Openeye Name: ferrous; cyclopentane; 6-(2-cyclopentylethynyl)-7H-purine CAS Name: cyclopentane; 6-(2-cyclopentylethynyl)-7H-purine; iron(2+) IUPAC Name: cyclopentane; 6-(2-cyclopentylethynyl)-7H-purine; iron(2+) Traditional Name: ferrous; cyclopentane; 6-(2-cyclopentylethynyl)-7H-purine Formula: C17H12FeN4+2 MolecularWeight: 328.14898

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C#CC2=C3C(=NC=N2)N=CN3.[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C#CC2=C3C(=NC=N2)N=CN3.[Fe+2]

InChI

InChI=1S/C12H7N4.C5H5.Fe/c1-2-4-9(3-1)5-6-10-11-12(15-7-13-10)16-8-14-11;1-2-4-5-3-1;/h1-4,7-8H,(H,13,14,15,16);1-5H;/q;;+2