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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-cyclopentyl-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-cyclopentyl-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-cyclopentyl-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-cyclopentylpyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-cyclopentylpyrimidin-4-yl)amine Formula: C25H27BrClN3 MolecularWeight: 484.85898

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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)C4CCCC4

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=NC=NC(=C3)C4CCCC4

InChI

InChI=1S/C25H27BrClN3/c1-17(30-25-15-24(28-16-29-25)19-5-2-3-6-19)23(20-7-4-8-21(26)14-20)13-18-9-11-22(27)12-10-18/h4,7-12,14-17,19,23H,2-3,5-6,13H2,1H3,(H,28,29,30)/t17-,23+/m0/s1