cyclopentane; 6-(2-cyclopentylethynyl)-9-(phenylmethyl)purine; iron(2+)

Systemtic Name: cyclopentane; 6-(2-cyclopentylethynyl)-9-(phenylmethyl)purine; iron(2+) Openeye Name: ferrous; 9-benzyl-6-(2-cyclopentylethynyl)purine; cyclopentane CAS Name: cyclopentane; 6-(2-cyclopentylethynyl)-9-(phenylmethyl)purine; iron(2+) IUPAC Name: 9-benzyl-6-(2-cyclopentylethynyl)purine; cyclopentane; iron(2+) Traditional Name: ferrous; 9-benzyl-6-(2-cyclopentylethynyl)purine; cyclopentane Formula: C24H18FeN4+2 MolecularWeight: 418.27152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C19H13N4.C5H5.Fe/c1-2-8-16(9-3-1)12-23-14-22-18-17(20-13-21-19(18)23)11-10-15-6-4-5-7-15;1-2-4-5-3-1;/h1-9,13-14H,12H2;1-5H;/q;;+2