diethyl 5-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(2-chloro-9-cyclopentyl-6-purinyl)amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-chloro-9-cyclopentylpurin-6-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H24ClN5O4 MolecularWeight: 457.91006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O4/c1-3-31-20(29)13-9-14(21(30)32-4-2)11-15(10-13)25-18-17-19(27-22(23)26-18)28(12-24-17)16-7-5-6-8-16/h9-12,16H,3-8H2,1-2H3,(H,25,26,27)