[(2R,3S,4R,5R)-2-azido-5-[2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl 3-chloranylbenzoate

Systemtic Name: [(2R,3S,4R,5R)-2-azido-5-[2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl 3-chloranylbenzoate Openeye Name: [(2R,3S,4R,5R)-2-azido-3,4-dibenzoyloxy-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(2R,3S,4R,5R)-2-azido-3,4-dibenzoyloxy-5-[2-oxo-4-(1,2,4-triazol-1-yl)-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-2-azido-3,4-dibenzoyloxy-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(2R,3S,4R,5R)-2-azido-3,4-dibenzoyloxy-5-[2-keto-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C32H23ClN8O8 MolecularWeight: 683.02682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(C(OC2N3C=CC(=NC3=O)N4C=NC=N4)(COC(=O)C5=CC(=CC=C5)Cl)N=[N+]=[N-])OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]2[C@@H]([C@](O[C@H]2N3C=CC(=NC3=O)N4C=NC=N4)(COC(=O)C5=CC(=CC=C5)Cl)N=[N+]=[N-])OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H23ClN8O8/c33-23-13-7-12-22(16-23)28(42)46-17-32(38-39-34)26(48-30(44)21-10-5-2-6-11-21)25(47-29(43)20-8-3-1-4-9-20)27(49-32)40-15-14-24(37-31(40)45)41-19-35-18-36-41/h1-16,18-19,25-27H,17H2/t25-,26+,27-,32-/m1/s1