[(2S,4S)-4-(6-chloranylpurin-9-yl)-1,3-dithiolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4S)-4-(6-chloranylpurin-9-yl)-1,3-dithiolan-2-yl]methyl benzoate Openeye Name: [(2S,4S)-4-(6-chloropurin-9-yl)-1,3-dithiolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S)-4-(6-chloro-9-purinyl)-1,3-dithiolan-2-yl]methyl ester IUPAC Name: [(2S,4S)-4-(6-chloropurin-9-yl)-1,3-dithiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S)-4-(6-chloropurin-9-yl)-1,3-dithiolan-2-yl]methyl ester Formula: C16H13ClN4O2S2 MolecularWeight: 392.88302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(S1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1[C@H](S[C@H](S1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C16H13ClN4O2S2/c17-14-13-15(19-8-18-14)21(9-20-13)11-7-24-12(25-11)6-23-16(22)10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2/t11-,12-/m0/s1