N2-(4-azanylcyclohexyl)-N6-[(5-bromanylfuran-3-yl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(5-bromanylfuran-3-yl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(5-bromo-3-furyl)methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(5-bromo-3-furanyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(5-bromofuran-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(5-bromo-3-furyl)methylamino]-9-isopropyl-purin-2-yl]amine Formula: C19H26BrN7O MolecularWeight: 448.36004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26BrN7O/c1-11(2)27-10-23-16-17(22-8-12-7-15(20)28-9-12)25-19(26-18(16)27)24-14-5-3-13(21)4-6-14/h7,9-11,13-14H,3-6,8,21H2,1-2H3,(H2,22,24,25,26)