N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-[(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [(1S,2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-methyl-propyl]-(6-pyrrolidinopyrimidin-4-yl)amine Formula: C24H26BrClN4 MolecularWeight: 485.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)Br)NC3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C24H26BrClN4/c1-17(29-23-15-24(28-16-27-23)30-11-2-3-12-30)22(19-5-4-6-20(25)14-19)13-18-7-9-21(26)10-8-18/h4-10,14-17,22H,2-3,11-13H2,1H3,(H,27,28,29)/t17-,22+/m0/s1