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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-piperidinopyrimidin-4-yl)amine Formula: C25H28BrClN4 MolecularWeight: 499.87362

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrClN4/c1-18(30-24-16-25(29-17-28-24)31-12-3-2-4-13-31)23(20-6-5-7-21(26)15-20)14-19-8-10-22(27)11-9-19/h5-11,15-18,23H,2-4,12-14H2,1H3,(H,28,29,30)/t18-,23+/m0/s1