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

Systemtic Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-bromanylpentanoate Openeye Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-bromopentanoate CAS Name: 2-bromopentanoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 2-bromopentanoate Traditional Name: 2-bromovaleric acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C17H25BrN4O3S MolecularWeight: 445.3744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CCCC3)C)Br

Isomeric SMILES

CCCC(C(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CCCC3)C)Br

InChI

InChI=1S/C17H25BrN4O3S/c1-3-6-12(18)15(23)25-13-9-10-21(2)17(24)22(13)16-20-19-14(26-16)11-7-4-5-8-11/h11-13H,3-10H2,1-2H3