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

Systemtic Name: methyl 4-[[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethylamino]methyl]benzoate CAS Name: 4-[[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethylamino]methyl]benzoic acid methyl ester Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C21H25ClN6O2/c1-30-20(29)15-8-6-14(7-9-15)12-23-10-11-24-18-17-19(27-21(22)26-18)28(13-25-17)16-4-2-3-5-16/h6-9,13,16,23H,2-5,10-12H2,1H3,(H,24,26,27)