6-chloranyl-9-[(2S,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]purine

Systemtic Name: 6-chloranyl-9-[(2S,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]purine Openeye Name: 9-[(2S,4R,5S)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]-6-chloro-purine CAS Name: 6-chloro-9-[(2S,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-thiolanyl]purine IUPAC Name: 6-chloro-9-[(2S,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]purine Traditional Name: 9-[(2S,4R,5S)-4-benzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]-6-chloro-purine Formula: C24H23ClN4O2S MolecularWeight: 466.98302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C=NC3=C2N=CN=C3Cl)COCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H](S[C@@H]1N2C=NC3=C2N=CN=C3Cl)COCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C24H23ClN4O2S/c25-23-22-24(27-15-26-23)29(16-28-22)21-11-19(31-13-18-9-5-2-6-10-18)20(32-21)14-30-12-17-7-3-1-4-8-17/h1-10,15-16,19-21H,11-14H2/t19-,20+,21+/m1/s1