N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-2-methylsulfanyl-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-2-methylsulfanyl-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-2-methylsulfanyl-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-2-(methylthio)-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-[2-(methylthio)-6-piperidino-pyrimidin-4-yl]amine Formula: C26H30BrClN4S MolecularWeight: 545.9652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=NC(=NC(=C3)N4CCCCC4)SC

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=NC(=NC(=C3)N4CCCCC4)SC

InChI

InChI=1S/C26H30BrClN4S/c1-18(29-24-17-25(31-26(30-24)33-2)32-13-4-3-5-14-32)23(20-7-6-8-21(27)16-20)15-19-9-11-22(28)12-10-19/h6-12,16-18,23H,3-5,13-15H2,1-2H3,(H,29,30,31)/t18-,23+/m0/s1