N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cycloheptyl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cycloheptyl-pyrimidine-4,6-diamine Openeye Name: N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cycloheptyl-pyrimidine-4,6-diamine CAS Name: N6-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-N4-cycloheptylpyrimidine-4,6-diamine IUPAC Name: 6-N-[(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-4-N-cycloheptylpyrimidine-4,6-diamine Traditional Name: [(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propyl]-[6-(cycloheptylamino)pyrimidin-4-yl]amine Formula: C26H30BrClN4 MolecularWeight: 513.9002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=CC(=NC=N2)NCC(CC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCC(CC1)NC2=CC(=NC=N2)NC[C@@H](CC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H30BrClN4/c27-22-7-5-6-20(15-22)21(14-19-10-12-23(28)13-11-19)17-29-25-16-26(31-18-30-25)32-24-8-3-1-2-4-9-24/h5-7,10-13,15-16,18,21,24H,1-4,8-9,14,17H2,(H2,29,30,31,32)/t21-/m1/s1