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

Systemtic Name: ethyl 4-[[2-[(4-azanylcyclohexyl)-methyl-amino]-9-cyclopentyl-purin-6-yl]amino]benzoate Openeye Name: ethyl 4-[[2-[(4-aminocyclohexyl)-methyl-amino]-9-cyclopentyl-purin-6-yl]amino]benzoate CAS Name: 4-[[2-[(4-aminocyclohexyl)-methylamino]-9-cyclopentyl-6-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-aminocyclohexyl)-methylamino]-9-cyclopentylpurin-6-yl]amino]benzoate Traditional Name: 4-[[2-[(4-aminocyclohexyl)-methyl-amino]-9-cyclopentyl-purin-6-yl]amino]benzoic acid ethyl ester Formula: C26H35N7O2 MolecularWeight: 477.6018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)N(C)C5CCC(CC5)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)N(C)C5CCC(CC5)N

InChI

InChI=1S/C26H35N7O2/c1-3-35-25(34)17-8-12-19(13-9-17)29-23-22-24(33(16-28-22)21-6-4-5-7-21)31-26(30-23)32(2)20-14-10-18(27)11-15-20/h8-9,12-13,16,18,20-21H,3-7,10-11,14-15,27H2,1-2H3,(H,29,30,31)