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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-pentoxy-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-pentoxy-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-pentoxy-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-pentoxypyrimidin-4-amine Traditional Name: (6-amoxypyrimidin-4-yl)-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]amine Formula: C25H29BrClN3O MolecularWeight: 502.87426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=NC(=C1)NC(C)C(CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCOC1=NC=NC(=C1)N[C@@H](C)[C@@H](CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

InChI

InChI=1S/C25H29BrClN3O/c1-3-4-5-13-31-25-16-24(28-17-29-25)30-18(2)23(20-7-6-8-21(26)15-20)14-19-9-11-22(27)12-10-19/h6-12,15-18,23H,3-5,13-14H2,1-2H3,(H,28,29,30)/t18-,23+/m0/s1