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

Systemtic Name: methyl 3-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]benzoate Openeye Name: methyl 3-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]benzoate CAS Name: 3-[(2-chloro-9-cyclopentyl-6-purinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-9-cyclopentylpurin-6-yl)amino]benzoate Traditional Name: 3-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]benzoic acid methyl ester Formula: C18H18ClN5O2 MolecularWeight: 371.82082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O2/c1-26-17(25)11-5-4-6-12(9-11)21-15-14-16(23-18(19)22-15)24(10-20-14)13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,21,22,23)