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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-hexoxy-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-hexoxy-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-hexoxy-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-hexoxypyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-hexoxypyrimidin-4-yl)amine Formula: C26H31BrClN3O MolecularWeight: 516.90084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=NC(=C1)NC(C)C(CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=NC=NC(=C1)N[C@@H](C)[C@@H](CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

InChI

InChI=1S/C26H31BrClN3O/c1-3-4-5-6-14-32-26-17-25(29-18-30-26)31-19(2)24(21-8-7-9-22(27)16-21)15-20-10-12-23(28)13-11-20/h7-13,16-19,24H,3-6,14-15H2,1-2H3,(H,29,30,31)/t19-,24+/m0/s1