[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-(3-bromophenyl)butanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-(3-bromophenyl)butanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 3-(3-bromophenyl)butanoate CAS Name: 3-(3-bromophenyl)butanoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 3-(3-bromophenyl)butanoate Traditional Name: 3-(3-bromophenyl)butyric acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C21H27BrN4O3S MolecularWeight: 495.43308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C(C)(C)C)C)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(CC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C(C)(C)C)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H27BrN4O3S/c1-13(14-7-6-8-15(22)12-14)11-17(27)29-16-9-10-25(5)20(28)26(16)19-24-23-18(30-19)21(2,3)4/h6-8,12-13,16H,9-11H2,1-5H3