2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]-1-[(3R,5R)-3,5-dimethylpiperidino]ethanone Formula: C19H22BrN3OS MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H22BrN3OS/c1-13-9-14(2)11-23(10-13)18(24)12-25-19-21-8-7-17(22-19)15-3-5-16(20)6-4-15/h3-8,13-14H,9-12H2,1-2H3/t13-,14-/m1/s1