[(2S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate

Systemtic Name: [(2S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate Openeye Name: [(2S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-(4-chlorobenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-[(4-chlorophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-(4-chlorobenzoyl)oxy-tetrahydrofuran-2-yl]methyl ester Formula: C23H19Cl2N3O6 MolecularWeight: 504.31946

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1OC(=O)C2=CC=C(C=C2)Cl)N3C=CC(=NC3=O)N)COC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@H](O[C@H]([C@@H]1OC(=O)C2=CC=C(C=C2)Cl)N3C=CC(=NC3=O)N)COC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19Cl2N3O6/c24-15-5-1-13(2-6-15)21(29)32-12-17-11-18(34-22(30)14-3-7-16(25)8-4-14)20(33-17)28-10-9-19(26)27-23(28)31/h1-10,17-18,20H,11-12H2,(H2,26,27,31)/t17-,18+,20+/m0/s1