N2-(2-azanylcyclohexyl)-N6-[(4-bromophenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2-azanylcyclohexyl)-N6-[(4-bromophenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(2-aminocyclohexyl)-N6-[(4-bromophenyl)methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(2-aminocyclohexyl)-N6-[(4-bromophenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminocyclohexyl)-6-N-[(4-bromophenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (2-aminocyclohexyl)-[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]amine Formula: C21H28BrN7 MolecularWeight: 458.39792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCCCC4N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCCCC4N

InChI

InChI=1S/C21H28BrN7/c1-13(2)29-12-25-18-19(24-11-14-7-9-15(22)10-8-14)27-21(28-20(18)29)26-17-6-4-3-5-16(17)23/h7-10,12-13,16-17H,3-6,11,23H2,1-2H3,(H2,24,26,27,28)