tert-butyl 2-[6-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]oxy-2-phenyl-ethanoate

Systemtic Name: tert-butyl 2-[6-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]oxy-2-phenyl-ethanoate Openeye Name: tert-butyl 2-[2-(tert-butoxycarbonylamino)-6-chloro-purin-9-yl]oxy-2-phenyl-acetate CAS Name: 2-[[6-chloro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-9-purinyl]oxy]-2-phenylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]oxy-2-phenylacetate Traditional Name: 2-[2-(tert-butoxycarbonylamino)-6-chloro-purin-9-yl]oxy-2-phenyl-acetic acid tert-butyl ester Formula: C22H26ClN5O5 MolecularWeight: 475.92534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC=CC=C1)ON2C=NC3=C2N=C(N=C3Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CC=CC=C1)ON2C=NC3=C2N=C(N=C3Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H26ClN5O5/c1-21(2,3)31-18(29)15(13-10-8-7-9-11-13)33-28-12-24-14-16(23)25-19(26-17(14)28)27-20(30)32-22(4,5)6/h7-12,15H,1-6H3,(H,25,26,27,30)