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

Systemtic Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethanone CAS Name: 2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]-1-[(2R,6R)-2,6-dimethylpiperidino]ethanone Formula: C19H22BrN3OS MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H22BrN3OS/c1-13-4-3-5-14(2)23(13)18(24)12-25-19-21-11-10-17(22-19)15-6-8-16(20)9-7-15/h6-11,13-14H,3-5,12H2,1-2H3/t13-,14-/m1/s1