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

Systemtic Name: ethyl 3-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]benzoate Openeye Name: ethyl 3-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]benzoate CAS Name: 3-[(2-chloro-9-cyclopentyl-6-purinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-9-cyclopentylpurin-6-yl)amino]benzoate Traditional Name: 3-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]benzoic acid ethyl ester Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C19H20ClN5O2/c1-2-27-18(26)12-6-5-7-13(10-12)22-16-15-17(24-19(20)23-16)25(11-21-15)14-8-3-4-9-14/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,22,23,24)