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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-cyclohexyl-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-cyclohexyl-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-cyclohexyl-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-cyclohexylpyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-cyclohexylpyrimidin-4-yl)amine Formula: C26H29BrClN3 MolecularWeight: 498.88556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=NC=NC(=C3)C4CCCCC4

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=NC=NC(=C3)C4CCCCC4

InChI

InChI=1S/C26H29BrClN3/c1-18(31-26-16-25(29-17-30-26)20-6-3-2-4-7-20)24(21-8-5-9-22(27)15-21)14-19-10-12-23(28)13-11-19/h5,8-13,15-18,20,24H,2-4,6-7,14H2,1H3,(H,29,30,31)/t18-,24+/m0/s1