4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[6-[(4-bromophenyl)methylamino]-9-isopropyl-purin-2-yl]amino]cyclohexanol CAS Name: 4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]amino]cyclohexanol Formula: C21H27BrN6O MolecularWeight: 459.38268

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN6O/c1-13(2)28-12-24-18-19(23-11-14-3-5-15(22)6-4-14)26-21(27-20(18)28)25-16-7-9-17(29)10-8-16/h3-6,12-13,16-17,29H,7-11H2,1-2H3,(H2,23,25,26,27)