[1-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1,3-diazinan-4-yl] 3-chloranylbutanoate

Systemtic Name: [1-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1,3-diazinan-4-yl] 3-chloranylbutanoate Openeye Name: [1-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-oxo-hexahydropyrimidin-4-yl] 3-chlorobutanoate CAS Name: 3-chlorobutanoic acid [1-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [1-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] 3-chlorobutanoate Traditional Name: 3-chlorobutyric acid [1-(2-bromoethyl)-3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-keto-hexahydropyrimidin-4-yl] ester Formula: C19H28BrClN4O3S MolecularWeight: 507.87262

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CCCCCC3)CCBr)Cl

Isomeric SMILES

CC(CC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CCCCCC3)CCBr)Cl

InChI

InChI=1S/C19H28BrClN4O3S/c1-13(21)12-16(26)28-15-8-10-24(11-9-20)19(27)25(15)18-23-22-17(29-18)14-6-4-2-3-5-7-14/h13-15H,2-12H2,1H3