N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cyclohexyl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cyclohexyl-pyrimidine-4,6-diamine Openeye Name: N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cyclohexyl-pyrimidine-4,6-diamine CAS Name: N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cyclohexylpyrimidine-4,6-diamine IUPAC Name: 6-N-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-4-N-cyclohexylpyrimidine-4,6-diamine Traditional Name: [(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-[6-(cyclohexylamino)pyrimidin-4-yl]amine Formula: C25H28BrClN4 MolecularWeight: 499.87362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC(=NC=N2)NCC(CC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)NC2=CC(=NC=N2)NC[C@@H](CC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H28BrClN4/c26-21-6-4-5-19(14-21)20(13-18-9-11-22(27)12-10-18)16-28-24-15-25(30-17-29-24)31-23-7-2-1-3-8-23/h4-6,9-12,14-15,17,20,23H,1-3,7-8,13,16H2,(H2,28,29,30,31)/t20-/m1/s1