5-(1,1,2,2,2-pentadeuterioethyl)-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1,1,2,2,2-pentadeuterioethyl)-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1-methylbutyl)-5-(1,1,2,2,2-pentadeuterioethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1,1,2,2,2-pentadeuterioethyl)-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1,1,2,2,2-pentadeuterioethyl)-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(1-methylbutyl)-5-(1,1,2,2,2-pentadeuterioethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H18N2O2S MolecularWeight: 247.368629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=S)NC1=O)C(C)CCC

InChI

InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/i2D3,5D2