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

Systemtic Name: 2-[5-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl carbamimidothioate hydrobromide Openeye Name: 2-[2-(5-methyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)ethyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid 2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl ester hydrobromide IUPAC Name: 2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate hydrobromide Traditional Name: 2-[2-(2,4,6-triketo-5-methyl-hexahydropyrimidin-5-yl)ethyl]isothiourea hydrobromide Formula: C8H13BrN4O3S MolecularWeight: 325.18282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC(=O)NC1=O)CCSC(=N)N.Br

Isomeric SMILES

CC1(C(=O)NC(=O)NC1=O)CCSC(=N)N.Br

InChI

InChI=1S/C8H12N4O3S.BrH/c1-8(2-3-16-6(9)10)4(13)11-7(15)12-5(8)14;/h2-3H2,1H3,(H3,9,10)(H2,11,12,13,14,15);1H