butyl 2-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]phenyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCOC(=O)CC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

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