butyl 2-[4-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]phenyl]ethanoate

Systemtic Name: butyl 2-[4-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]phenyl]ethanoate Openeye Name: butyl 2-[4-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]phenyl]acetate CAS Name: 2-[4-[(2-chloro-9-cyclopentyl-6-purinyl)amino]phenyl]acetic acid butyl ester IUPAC Name: butyl 2-[4-[(2-chloro-9-cyclopentylpurin-6-yl)amino]phenyl]acetate Traditional Name: 2-[4-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]phenyl]acetic acid butyl ester Formula: C22H26ClN5O2 MolecularWeight: 427.92714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

CCCCOC(=O)CC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C22H26ClN5O2/c1-2-3-12-30-18(29)13-15-8-10-16(11-9-15)25-20-19-21(27-22(23)26-20)28(14-24-19)17-6-4-5-7-17/h8-11,14,17H,2-7,12-13H2,1H3,(H,25,26,27)