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

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-(3-bromophenyl)butanoate Openeye Name: [3-(5-cyclopropyl-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-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopropyl-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-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CC3)C)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(CC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CC3)C)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H23BrN4O3S/c1-12(14-4-3-5-15(21)11-14)10-17(26)28-16-8-9-24(2)20(27)25(16)19-23-22-18(29-19)13-6-7-13/h3-5,11-13,16H,6-10H2,1-2H3