6-chloranyl-9-[(1-fluoranyl-3-phenylmethoxy-propan-2-yl)oxymethyl]purine

Systemtic Name: 6-chloranyl-9-[(1-fluoranyl-3-phenylmethoxy-propan-2-yl)oxymethyl]purine Openeye Name: 9-[[1-(benzyloxymethyl)-2-fluoro-ethoxy]methyl]-6-chloro-purine CAS Name: 6-chloro-9-[(1-fluoro-3-phenylmethoxypropan-2-yl)oxymethyl]purine IUPAC Name: 6-chloro-9-[(1-fluoro-3-phenylmethoxypropan-2-yl)oxymethyl]purine Traditional Name: 9-[[1-(benzoxymethyl)-2-fluoro-ethoxy]methyl]-6-chloro-purine Formula: C16H16ClFN4O2 MolecularWeight: 350.775243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CF)OCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)COCC(CF)OCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C16H16ClFN4O2/c17-15-14-16(20-9-19-15)22(10-21-14)11-24-13(6-18)8-23-7-12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,11H2