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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-butyl-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-butyl-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-butyl-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-butylpyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-butylpyrimidin-4-yl)amine Formula: C24H27BrClN3 MolecularWeight: 472.84828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC=N1)NC(C)C(CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCC1=CC(=NC=N1)N[C@@H](C)[C@@H](CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

InChI

InChI=1S/C24H27BrClN3/c1-3-4-8-22-15-24(28-16-27-22)29-17(2)23(19-6-5-7-20(25)14-19)13-18-9-11-21(26)12-10-18/h5-7,9-12,14-17,23H,3-4,8,13H2,1-2H3,(H,27,28,29)/t17-,23+/m0/s1