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

Systemtic Name: N-[(2S,3S)-2-(3-bromophenyl)-1-(4-chlorophenyl)pentan-3-yl]-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-ethyl-propyl]-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[(2S,3S)-2-(3-bromophenyl)-1-(4-chlorophenyl)pentan-3-yl]-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-2-(3-bromophenyl)-1-(4-chlorophenyl)pentan-3-yl]-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-ethyl-propyl]-(6-piperidinopyrimidin-4-yl)amine Formula: C26H30BrClN4 MolecularWeight: 513.9002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrClN4/c1-2-24(31-25-17-26(30-18-29-25)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/h6-12,16-18,23-24H,2-5,13-15H2,1H3,(H,29,30,31)/t23-,24-/m0/s1