N-[4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]methanesulfonamide

Systemtic Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]methanesulfonamide Openeye Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]methanesulfonamide CAS Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]methanesulfonamide IUPAC Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]methanesulfonamide Traditional Name: N-[4-[[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]methanesulfonamide Formula: C22H30BrN7O2S MolecularWeight: 536.4883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCC(CC4)NS(=O)(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCC(CC4)NS(=O)(=O)C

InChI

InChI=1S/C22H30BrN7O2S/c1-14(2)30-13-25-19-20(24-12-15-4-6-16(23)7-5-15)27-22(28-21(19)30)26-17-8-10-18(11-9-17)29-33(3,31)32/h4-7,13-14,17-18,29H,8-12H2,1-3H3,(H2,24,26,27,28)