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

Systemtic Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-bromanylethanoate Openeye Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-bromoacetate CAS Name: 2-bromoacetic acid [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C16H23BrN4O3S MolecularWeight: 431.34782

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCCCC3)OC(=O)CBr

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCCCC3)OC(=O)CBr

InChI

InChI=1S/C16H23BrN4O3S/c1-20-9-8-12(24-13(22)10-17)21(16(20)23)15-19-18-14(25-15)11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3