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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-methoxy-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-methoxy-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-methoxy-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-methoxypyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-methoxypyrimidin-4-yl)amine Formula: C21H21BrClN3O MolecularWeight: 446.76794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=CC(=NC=N3)OC

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=CC(=NC=N3)OC

InChI

InChI=1S/C21H21BrClN3O/c1-14(26-20-12-21(27-2)25-13-24-20)19(16-4-3-5-17(22)11-16)10-15-6-8-18(23)9-7-15/h3-9,11-14,19H,10H2,1-2H3,(H,24,25,26)/t14-,19+/m0/s1