5-octyl-6-oxidanyl-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 5-octyl-6-oxidanyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 6-hydroxy-5-octyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 6-hydroxy-5-octyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 6-hydroxy-5-octyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 6-hydroxy-5-octyl-2-thioxo-hexahydropyrimidin-4-one Formula: C12H22N2O2S MolecularWeight: 258.38028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCCCCC1C(NC(=S)NC1=O)O

InChI

InChI=1S/C12H22N2O2S/c1-2-3-4-5-6-7-8-9-10(15)13-12(17)14-11(9)16/h9-10,15H,2-8H2,1H3,(H2,13,14,16,17)