[(2S,4S)-4-(6-chloranylpurin-7-yl)-1,3-dioxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4S)-4-(6-chloranylpurin-7-yl)-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2S,4S)-4-(6-chloropurin-7-yl)-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S)-4-(6-chloro-7-purinyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2S,4S)-4-(6-chloropurin-7-yl)-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S)-4-(6-chloropurin-7-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C16H13ClN4O4 MolecularWeight: 360.75182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3C(=NC=N4)Cl

Isomeric SMILES

C1[C@H](O[C@H](O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3C(=NC=N4)Cl

InChI

InChI=1S/C16H13ClN4O4/c17-14-13-15(19-8-18-14)20-9-21(13)11-6-23-12(25-11)7-24-16(22)10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2/t11-,12-/m0/s1