cyclopentane; 6-cyclopentyl-5-(2-cyclopentylethynyl)-3-octyl-furo[2,3-d]pyrimidin-2-one; iron(2+)

Systemtic Name: cyclopentane; 6-cyclopentyl-5-(2-cyclopentylethynyl)-3-octyl-furo[2,3-d]pyrimidin-2-one; iron(2+) Openeye Name: diferrous; cyclopentane; 6-cyclopentyl-5-(2-cyclopentylethynyl)-3-octyl-furo[2,3-d]pyrimidin-2-one CAS Name: cyclopentane; 6-cyclopentyl-5-(2-cyclopentylethynyl)-3-octyl-2-furo[2,3-d]pyrimidinone; iron(2+) IUPAC Name: cyclopentane; 6-cyclopentyl-5-(2-cyclopentylethynyl)-3-octylfuro[2,3-d]pyrimidin-2-one; iron(2+) Traditional Name: diferrous; cyclopentane; 6-cyclopentyl-5-(2-cyclopentylethynyl)-3-octyl-furo[2,3-d]pyrimidin-2-one Formula: C36H36Fe2N2O2+4 MolecularWeight: 640.37324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C2C(=C(OC2=NC1=O)[C]3[CH][CH][CH][CH]3)C#C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CCCCCCCCN1C=C2C(=C(OC2=NC1=O)[C]3[CH][CH][CH][CH]3)C#C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C26H26N2O2.2C5H5.2Fe/c1-2-3-4-5-6-11-18-28-19-23-22(17-16-20-12-7-8-13-20)24(21-14-9-10-15-21)30-25(23)27-26(28)29;2*1-2-4-5-3-1;;/h7-10,12-15,19H,2-6,11,18H2,1H3;2*1-5H;;/q;;;2*+2