1-(4-bromophenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]ethanone Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O2S/c1-12-8-22(9-13(2)24-12)17-7-18(21-11-20-17)25-10-16(23)14-3-5-15(19)6-4-14/h3-7,11-13H,8-10H2,1-2H3