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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(2-bromanylthiophen-3-yl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(2-bromo-3-thienyl)methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(2-bromo-3-thiophenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(2-bromothiophen-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(2-bromo-3-thienyl)methylamino]-9-isopropyl-purin-2-yl]amine Formula: C19H26BrN7S MolecularWeight: 464.42564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26BrN7S/c1-11(2)27-10-23-15-17(22-9-12-7-8-28-16(12)20)25-19(26-18(15)27)24-14-5-3-13(21)4-6-14/h7-8,10-11,13-14H,3-6,9,21H2,1-2H3,(H2,22,24,25,26)