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

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-butoxy-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-butoxy-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-butoxy-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-butoxypyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-butoxypyrimidin-4-yl)amine Formula: C24H27BrClN3O MolecularWeight: 488.84768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=NC(=C1)NC(C)C(CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCOC1=NC=NC(=C1)N[C@@H](C)[C@@H](CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

InChI

InChI=1S/C24H27BrClN3O/c1-3-4-12-30-24-15-23(27-16-28-24)29-17(2)22(19-6-5-7-20(25)14-19)13-18-8-10-21(26)11-9-18/h5-11,14-17,22H,3-4,12-13H2,1-2H3,(H,27,28,29)/t17-,22+/m0/s1