cyclopentane; 8-(2-cyclopentylethynyl)-9-octyl-purin-6-amine; iron(2+)

Systemtic Name: cyclopentane; 8-(2-cyclopentylethynyl)-9-octyl-purin-6-amine; iron(2+) Openeye Name: ferrous; cyclopentane; 8-(2-cyclopentylethynyl)-9-octyl-purin-6-amine CAS Name: cyclopentane; 8-(2-cyclopentylethynyl)-9-octyl-6-purinamine; iron(2+) IUPAC Name: cyclopentane; 8-(2-cyclopentylethynyl)-9-octylpurin-6-amine; iron(2+) Traditional Name: ferrous; cyclopentane; [8-(2-cyclopentylethynyl)-9-octyl-purin-6-yl]amine Formula: C25H29FeN5+2 MolecularWeight: 455.37626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1N=CN=C2N)C#C[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1N=CN=C2N)C#C[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C20H24N5.C5H5.Fe/c1-2-3-4-5-6-9-14-25-17(13-12-16-10-7-8-11-16)24-18-19(21)22-15-23-20(18)25;1-2-4-5-3-1;/h7-8,10-11,15H,2-6,9,14H2,1H3,(H2,21,22,23);1-5H;/q;;+2