5-ethyl-5-heptan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-ethyl-5-heptan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-ethyl-5-(1-methylhexyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-ethyl-5-heptan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-ethyl-5-heptan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-ethyl-5-(1-methylhexyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H22N2O2S MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1(C(=O)NC(=S)NC1=O)CC

Isomeric SMILES

CCCCCC(C)C1(C(=O)NC(=S)NC1=O)CC

InChI

InChI=1S/C13H22N2O2S/c1-4-6-7-8-9(3)13(5-2)10(16)14-12(18)15-11(13)17/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18)