1-(4-cyclopentylbutyl)-5-methyl-3-(phenylcarbonyl)pyrimidine-2,4-dione; iron(2+)

Systemtic Name: 1-(4-cyclopentylbutyl)-5-methyl-3-(phenylcarbonyl)pyrimidine-2,4-dione; iron(2+) Openeye Name: ferrous 3-benzoyl-1-(4-cyclopentylbutyl)-5-methyl-pyrimidine-2,4-dione CAS Name: 3-benzoyl-1-(4-cyclopentylbutyl)-5-methylpyrimidine-2,4-dione; iron(2+) IUPAC Name: 3-benzoyl-1-(4-cyclopentylbutyl)-5-methylpyrimidine-2,4-dione; iron(2+) Traditional Name: ferrous 3-benzoyl-1-(4-cyclopentylbutyl)-5-methyl-pyrimidine-2,4-quinone Formula: C42H42FeN4O6+2 MolecularWeight: 754.65108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)CCCC[C]3[CH][CH][CH][CH]3.CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)CCCC[C]3[CH][CH][CH][CH]3.[Fe+2]

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)CCCC[C]3[CH][CH][CH][CH]3.CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)CCCC[C]3[CH][CH][CH][CH]3.[Fe+2]

InChI

InChI=1S/2C21H21N2O3.Fe/c2*1-16-15-22(14-8-7-11-17-9-5-6-10-17)21(26)23(19(16)24)20(25)18-12-3-2-4-13-18;/h2*2-6,9-10,12-13,15H,7-8,11,14H2,1H3;/q;;+2