N6-[1-(4-bromophenyl)ethyl]-N2-(4-methylcyclohexyl)-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N6-[1-(4-bromophenyl)ethyl]-N2-(4-methylcyclohexyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N6-[1-(4-bromophenyl)ethyl]-9-isopropyl-N2-(4-methylcyclohexyl)purine-2,6-diamine CAS Name: N6-[1-(4-bromophenyl)ethyl]-N2-(4-methylcyclohexyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 6-N-[1-(4-bromophenyl)ethyl]-2-N-(4-methylcyclohexyl)-9-propan-2-ylpurine-2,6-diamine Traditional Name: 1-(4-bromophenyl)ethyl-[9-isopropyl-2-[(4-methylcyclohexyl)amino]purin-6-yl]amine Formula: C23H31BrN6 MolecularWeight: 471.43644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC3=C(C(=N2)NC(C)C4=CC=C(C=C4)Br)N=CN3C(C)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC3=C(C(=N2)NC(C)C4=CC=C(C=C4)Br)N=CN3C(C)C

InChI

InChI=1S/C23H31BrN6/c1-14(2)30-13-25-20-21(26-16(4)17-7-9-18(24)10-8-17)28-23(29-22(20)30)27-19-11-5-15(3)6-12-19/h7-10,13-16,19H,5-6,11-12H2,1-4H3,(H2,26,27,28,29)