2-[2,4,6-tris(oxidanylidene)-5-pentyl-1,3-diazinan-5-yl]ethyl carbamimidothioate bromide

Systemtic Name: 2-[2,4,6-tris(oxidanylidene)-5-pentyl-1,3-diazinan-5-yl]ethyl carbamimidothioate bromide Openeye Name: 2-[2-(2,4,6-trioxo-5-pentyl-hexahydropyrimidin-5-yl)ethyl]isothiourea bromide CAS Name: carbamimidothioic acid 2-(2,4,6-trioxo-5-pentyl-1,3-diazinan-5-yl)ethyl ester bromide IUPAC Name: 2-(2,4,6-trioxo-5-pentyl-1,3-diazinan-5-yl)ethyl carbamimidothioate bromide Traditional Name: 2-[2-(5-amyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethyl]isothiourea bromide Formula: C12H20BrN4O3S- MolecularWeight: 380.2812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N.[Br-]

Isomeric SMILES

CCCCCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N.[Br-]

InChI

InChI=1S/C12H20N4O3S.BrH/c1-2-3-4-5-12(6-7-20-10(13)14)8(17)15-11(19)16-9(12)18;/h2-7H2,1H3,(H3,13,14)(H2,15,16,17,18,19);1H/p-1