6-chloranyl-9-[(2S,3R)-7-(oxiran-2-yl)-2-phenylmethoxy-heptan-3-yl]purine

Systemtic Name: 6-chloranyl-9-[(2S,3R)-7-(oxiran-2-yl)-2-phenylmethoxy-heptan-3-yl]purine Openeye Name: 9-[(1R)-1-[(1S)-1-benzyloxyethyl]-5-(oxiran-2-yl)pentyl]-6-chloro-purine CAS Name: 6-chloro-9-[(2S,3R)-7-(2-oxiranyl)-2-phenylmethoxyheptan-3-yl]purine IUPAC Name: 6-chloro-9-[(2S,3R)-7-(oxiran-2-yl)-2-phenylmethoxyheptan-3-yl]purine Traditional Name: 9-[(1R)-1-[(1S)-1-benzoxyethyl]-5-(oxiran-2-yl)pentyl]-6-chloro-purine Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCC1CO1)N2C=NC3=C2N=CN=C3Cl)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]([C@@H](CCCCC1CO1)N2C=NC3=C2N=CN=C3Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C21H25ClN4O2/c1-15(27-11-16-7-3-2-4-8-16)18(10-6-5-9-17-12-28-17)26-14-25-19-20(22)23-13-24-21(19)26/h2-4,7-8,13-15,17-18H,5-6,9-12H2,1H3/t15-,17?,18+/m0/s1