ethyl 3-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoate

Systemtic Name: ethyl 3-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoate Openeye Name: ethyl 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoate CAS Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]benzoate Traditional Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzoic acid ethyl ester Formula: C26H35N7O2 MolecularWeight: 477.6018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O2/c1-2-35-25(34)18-7-5-6-17(14-18)15-28-23-22-24(33(16-29-22)21-8-3-4-9-21)32-26(31-23)30-20-12-10-19(27)11-13-20/h5-7,14,16,19-21H,2-4,8-13,15,27H2,1H3,(H2,28,30,31,32)