N2-(4-azanylcyclohexyl)-N6-[(4-bromanyl-1H-pyrazol-5-yl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-bromanyl-1H-pyrazol-5-yl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(4-bromo-1H-pyrazol-5-yl)methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-bromo-1H-pyrazol-5-yl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-bromo-1H-pyrazol-5-yl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(4-bromo-1H-pyrazol-5-yl)methylamino]-9-isopropyl-purin-2-yl]amine Formula: C18H26BrN9 MolecularWeight: 448.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=C(C=NN3)Br)NC4CCC(CC4)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=C(C=NN3)Br)NC4CCC(CC4)N

InChI

InChI=1S/C18H26BrN9/c1-10(2)28-9-22-15-16(21-8-14-13(19)7-23-27-14)25-18(26-17(15)28)24-12-5-3-11(20)4-6-12/h7,9-12H,3-6,8,20H2,1-2H3,(H,23,27)(H2,21,24,25,26)