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

Systemtic Name: 5-ethyl-5-hexan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-ethyl-5-(1-ethylbutyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-ethyl-5-hexan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-ethyl-5-hexan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-ethyl-5-(1-ethylbutyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O2S/c1-4-7-8(5-2)12(6-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)