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

Systemtic Name: methyl 4-[[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(2-chloro-9-cyclopentyl-purin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(2-chloro-9-cyclopentyl-6-purinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-chloro-9-cyclopentylpurin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-chloro-9-cyclopentyl-purin-6-yl)amino]methyl]benzoic acid methyl ester Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O2/c1-27-18(26)13-8-6-12(7-9-13)10-21-16-15-17(24-19(20)23-16)25(11-22-15)14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H,21,23,24)