butyl 4-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoate

Systemtic Name: butyl 4-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoate Openeye Name: butyl 4-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]methyl]benzoic acid butyl ester IUPAC Name: butyl 4-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoic acid butyl ester Formula: C28H39N7O2 MolecularWeight: 505.65496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C28H39N7O2/c1-2-3-16-37-27(36)20-10-8-19(9-11-20)17-30-25-24-26(35(18-31-24)23-6-4-5-7-23)34-28(33-25)32-22-14-12-21(29)13-15-22/h8-11,18,21-23H,2-7,12-17,29H2,1H3,(H2,30,32,33,34)