6-chloranyl-9-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]purine

Systemtic Name: 6-chloranyl-9-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]purine Openeye Name: 9-[(1R)-1-[(1S)-1-benzyloxyethyl]hept-6-enyl]-6-chloro-purine CAS Name: 6-chloro-9-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]purine IUPAC Name: 6-chloro-9-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]purine Traditional Name: 9-[(1R)-1-[(1S)-1-benzoxyethyl]hept-6-enyl]-6-chloro-purine Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCC=C)N1C=NC2=C1N=CN=C2Cl)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](CCCCC=C)N1C=NC2=C1N=CN=C2Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4O/c1-3-4-5-9-12-18(16(2)27-13-17-10-7-6-8-11-17)26-15-25-19-20(22)23-14-24-21(19)26/h3,6-8,10-11,14-16,18H,1,4-5,9,12-13H2,2H3/t16-,18+/m0/s1