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

Systemtic Name: 2-[2,4,6-tris(oxidanylidene)-5-pentyl-1,3-diazinan-5-yl]ethyl thiocyanate Openeye Name: 2-(2,4,6-trioxo-5-pentyl-hexahydropyrimidin-5-yl)ethyl thiocyanate CAS Name: thiocyanic acid 2-(2,4,6-trioxo-5-pentyl-1,3-diazinan-5-yl)ethyl ester IUPAC Name: 2-(2,4,6-trioxo-5-pentyl-1,3-diazinan-5-yl)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(5-amyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethyl ester Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(=O)NC(=O)NC1=O)CCSC#N

Isomeric SMILES

CCCCCC1(C(=O)NC(=O)NC1=O)CCSC#N

InChI

InChI=1S/C12H17N3O3S/c1-2-3-4-5-12(6-7-19-8-13)9(16)14-11(18)15-10(12)17/h2-7H2,1H3,(H2,14,15,16,17,18)