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

Systemtic Name: [(2S,4S)-4-(2,6-diazidopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2S,4S)-4-(2,6-diazidopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S)-4-(2,6-diazido-9-purinyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2S,4S)-4-(2,6-diazidopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S)-4-(2,6-diazidopurin-9-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C16H12N10O4 MolecularWeight: 408.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C(N=C(N=C43)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

C1[C@H](O[C@H](O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C(N=C(N=C43)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C16H12N10O4/c17-24-22-13-12-14(21-16(20-13)23-25-18)26(8-19-12)10-6-28-11(30-10)7-29-15(27)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2/t10-,11-/m0/s1