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

Systemtic Name: ethyl 4-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]benzoate Openeye Name: ethyl 4-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]benzoate CAS Name: 4-[(2-chloro-9-cyclopentyl-6-purinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-9-cyclopentylpurin-6-yl)amino]benzoate Traditional Name: 4-[(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=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O2/c1-2-27-18(26)12-7-9-13(10-8-12)22-16-15-17(24-19(20)23-16)25(11-21-15)14-5-3-4-6-14/h7-11,14H,2-6H2,1H3,(H,22,23,24)