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

Systemtic Name: cyclopentane; 8-(2-cyclopentylethynyl)-9-(phenylmethyl)purin-6-amine; iron(2+) Openeye Name: ferrous; 9-benzyl-8-(2-cyclopentylethynyl)purin-6-amine; cyclopentane CAS Name: cyclopentane; 8-(2-cyclopentylethynyl)-9-(phenylmethyl)-6-purinamine; iron(2+) IUPAC Name: 9-benzyl-8-(2-cyclopentylethynyl)purin-6-amine; cyclopentane; iron(2+) Traditional Name: ferrous; [9-benzyl-8-(2-cyclopentylethynyl)purin-6-yl]amine; cyclopentane Formula: C24H19FeN5+2 MolecularWeight: 433.28616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3N)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=C2N=CN=C3N)C#C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C19H14N5.C5H5.Fe/c20-18-17-19(22-13-21-18)24(12-15-8-2-1-3-9-15)16(23-17)11-10-14-6-4-5-7-14;1-2-4-5-3-1;/h1-9,13H,12H2,(H2,20,21,22);1-5H;/q;;+2