cyclopentane; 5-[(4-cyclopentylphenyl)-(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-1,3-diethyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one; iron(2+)

Systemtic Name: cyclopentane; 5-[(4-cyclopentylphenyl)-(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-1,3-diethyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one; iron(2+) Openeye Name: ferrous; cyclopentane; 5-[(4-cyclopentylphenyl)-(1,3-diethyl-4-hydroxy-6-oxo-2-thioxo-pyrimidin-5-yl)methyl]-1,3-diethyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: cyclopentane; 5-[(4-cyclopentylphenyl)-(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]-1,3-diethyl-6-hydroxy-2-sulfanylidene-4-pyrimidinone; iron(2+) IUPAC Name: cyclopentane; 5-[(4-cyclopentylphenyl)-(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-1,3-diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one; iron(2+) Traditional Name: ferrous; cyclopentane; 5-[(4-cyclopentylphenyl)-(1,3-diethyl-4-hydroxy-6-keto-2-thioxo-pyrimidin-5-yl)methyl]-1,3-diethyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C33H36FeN4O4S2+2 MolecularWeight: 672.63834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N(C1=S)CC)C(C2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3)C4=C(N(C(=S)N(C4=O)CC)CC)O)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCN1C(=C(C(=O)N(C1=S)CC)C(C2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3)C4=C(N(C(=S)N(C4=O)CC)CC)O)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C28H31N4O4S2.C5H5.Fe/c1-5-29-23(33)21(24(34)30(6-2)27(29)37)20(19-15-13-18(14-16-19)17-11-9-10-12-17)22-25(35)31(7-3)28(38)32(8-4)26(22)36;1-2-4-5-3-1;/h9-16,20,33,35H,5-8H2,1-4H3;1-5H;/q;;+2