[(2R,3R,4S)-4-acetyloxy-2-(6-aminopurin-9-yl)-5-[bis(chloranyl)methylidene]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S)-4-acetyloxy-2-(6-aminopurin-9-yl)-5-[bis(chloranyl)methylidene]oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4S)-4-acetoxy-2-(6-aminopurin-9-yl)-5-(dichloromethylene)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S)-4-acetyloxy-2-(6-aminopurin-9-yl)-5-(dichloromethylidene)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S)-4-acetyloxy-2-(6-aminopurin-9-yl)-5-(dichloromethylidene)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S)-4-acetoxy-2-adenin-9-yl-5-(dichloromethylene)tetrahydrofuran-3-yl] ester Formula: C14H13Cl2N5O5 MolecularWeight: 402.18952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=C(Cl)Cl)OC1N2C=NC3=C2N=CN=C3N)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](C(=C(Cl)Cl)O[C@H]1N2C=NC3=C2N=CN=C3N)OC(=O)C

InChI

InChI=1S/C14H13Cl2N5O5/c1-5(22)24-8-9(11(15)16)26-14(10(8)25-6(2)23)21-4-20-7-12(17)18-3-19-13(7)21/h3-4,8,10,14H,1-2H3,(H2,17,18,19)/t8-,10-,14-/m1/s1