1,3-diethyl-5-hydroxyimino-2-sulfanylidene-1,3-diazinane-4,6-dione; iron

Systemtic Name: 1,3-diethyl-5-hydroxyimino-2-sulfanylidene-1,3-diazinane-4,6-dione; iron Openeye Name: 1,3-diethyl-5-hydroxyimino-2-thioxo-hexahydropyrimidine-4,6-dione; iron CAS Name: 1,3-diethyl-5-hydroxyimino-2-sulfanylidene-1,3-diazinane-4,6-dione; iron IUPAC Name: 1,3-diethyl-5-hydroxyimino-2-sulfanylidene-1,3-diazinane-4,6-dione; iron Traditional Name: 1,3-diethyl-5-hydroximino-2-thioxo-hexahydropyrimidine-4,6-quinone; iron Formula: C24H33FeN9O9S3 MolecularWeight: 743.61372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=NO)C(=O)N(C1=S)CC.CCN1C(=O)C(=NO)C(=O)N(C1=S)CC.CCN1C(=O)C(=NO)C(=O)N(C1=S)CC.[Fe]

Isomeric SMILES

CCN1C(=O)C(=NO)C(=O)N(C1=S)CC.CCN1C(=O)C(=NO)C(=O)N(C1=S)CC.CCN1C(=O)C(=NO)C(=O)N(C1=S)CC.[Fe]

InChI

InChI=1S/3C8H11N3O3S.Fe/c3*1-3-10-6(12)5(9-14)7(13)11(4-2)8(10)15;/h3*14H,3-4H2,1-2H3;