[2-(6-chloranylpurin-9-yl)oxolan-3-yl] 3-acetyloxy-2-(1,2-oxazol-5-yl)propanoate

Systemtic Name: [2-(6-chloranylpurin-9-yl)oxolan-3-yl] 3-acetyloxy-2-(1,2-oxazol-5-yl)propanoate Openeye Name: [2-(6-chloropurin-9-yl)tetrahydrofuran-3-yl] 3-acetoxy-2-isoxazol-5-yl-propanoate CAS Name: 3-acetyloxy-2-(5-isoxazolyl)propanoic acid [2-(6-chloro-9-purinyl)-3-oxolanyl] ester IUPAC Name: [2-(6-chloropurin-9-yl)oxolan-3-yl] 3-acetyloxy-2-(1,2-oxazol-5-yl)propanoate Traditional Name: 3-acetoxy-2-isoxazol-5-yl-propionic acid [2-(6-chloropurin-9-yl)tetrahydrofuran-3-yl] ester Formula: C17H16ClN5O6 MolecularWeight: 421.79184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC=NO1)C(=O)OC2CCOC2N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

CC(=O)OCC(C1=CC=NO1)C(=O)OC2CCOC2N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C17H16ClN5O6/c1-9(24)27-6-10(11-2-4-22-29-11)17(25)28-12-3-5-26-16(12)23-8-21-13-14(18)19-7-20-15(13)23/h2,4,7-8,10,12,16H,3,5-6H2,1H3