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

Systemtic Name: 2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl carbamimidothioate Openeye Name: 2-[2-(5-ethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl ester IUPAC Name: 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(5-ethyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethyl]isothiourea Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N

Isomeric SMILES

CCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N

InChI

InChI=1S/C9H14N4O3S/c1-2-9(3-4-17-7(10)11)5(14)12-8(16)13-6(9)15/h2-4H2,1H3,(H3,10,11)(H2,12,13,14,15,16)