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

Systemtic Name: ethyl 3-[[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]methyl]benzoate Openeye Name: ethyl 3-[[(2-chloro-9-cyclopentyl-purin-6-yl)amino]methyl]benzoate CAS Name: 3-[[(2-chloro-9-cyclopentyl-6-purinyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(2-chloro-9-cyclopentylpurin-6-yl)amino]methyl]benzoate Traditional Name: 3-[[(2-chloro-9-cyclopentyl-purin-6-yl)amino]methyl]benzoic acid ethyl ester Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C20H22ClN5O2/c1-2-28-19(27)14-7-5-6-13(10-14)11-22-17-16-18(25-20(21)24-17)26(12-23-16)15-8-3-4-9-15/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,22,24,25)