5-bromanyl-2-methylsulfanyl-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-methylsulfanyl-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(4-isopropylphenyl)-2-(1-piperidyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(methylthio)-N-[(2R)-2-(1-piperidinyl)-2-(4-propan-2-ylphenyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-methylsulfanyl-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-(methylthio)-N-[(2R)-2-p-cumenyl-2-piperidino-ethyl]pyrimidine-4-carboxamide Formula: C22H29BrN4OS MolecularWeight: 477.46086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=NC(=NC=C2Br)SC)N3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=NC(=NC=C2Br)SC)N3CCCCC3

InChI

InChI=1S/C22H29BrN4OS/c1-15(2)16-7-9-17(10-8-16)19(27-11-5-4-6-12-27)14-24-21(28)20-18(23)13-25-22(26-20)29-3/h7-10,13,15,19H,4-6,11-12,14H2,1-3H3,(H,24,28)/t19-/m0/s1