1-(4-cyclopentylbutyl)-3-(phenylcarbonyl)pyrimidine-2,4-dione; iron(2+)

Systemtic Name: 1-(4-cyclopentylbutyl)-3-(phenylcarbonyl)pyrimidine-2,4-dione; iron(2+) Openeye Name: ferrous 3-benzoyl-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione CAS Name: 3-benzoyl-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione; iron(2+) IUPAC Name: 3-benzoyl-1-(4-cyclopentylbutyl)pyrimidine-2,4-dione; iron(2+) Traditional Name: ferrous 3-benzoyl-1-(4-cyclopentylbutyl)pyrimidine-2,4-quinone Formula: C40H38FeN4O6+2 MolecularWeight: 726.59792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)CCCC[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)CCCC[C]3[CH][CH][CH][CH]3.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)CCCC[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)CCCC[C]3[CH][CH][CH][CH]3.[Fe+2]

InChI

InChI=1S/2C20H19N2O3.Fe/c2*23-18-13-15-21(14-7-6-10-16-8-4-5-9-16)20(25)22(18)19(24)17-11-2-1-3-12-17;/h2*1-5,8-9,11-13,15H,6-7,10,14H2;/q;;+2