[1-(bromomethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1,3-diazinan-4-yl] butanoate

Systemtic Name: [1-(bromomethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1,3-diazinan-4-yl] butanoate Openeye Name: [1-(bromomethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-oxo-hexahydropyrimidin-4-yl] butanoate CAS Name: butanoic acid [1-(bromomethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [1-(bromomethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] butanoate Traditional Name: butyric acid [1-(bromomethyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-keto-hexahydropyrimidin-4-yl] ester Formula: C17H25BrN4O3S MolecularWeight: 445.3744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CCCCC3)CBr

Isomeric SMILES

CCCC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CCCCC3)CBr

InChI

InChI=1S/C17H25BrN4O3S/c1-2-6-14(23)25-13-9-10-21(11-18)17(24)22(13)16-20-19-15(26-16)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3