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

Systemtic Name: [4-acetyloxy-5-(5-ethyl-1,3-oxazol-2-yl)oxolan-3-yl] 2-(6-chloranylpurin-9-yl)ethanoate Openeye Name: [4-acetoxy-5-(5-ethyloxazol-2-yl)tetrahydrofuran-3-yl] 2-(6-chloropurin-9-yl)acetate CAS Name: 2-(6-chloro-9-purinyl)acetic acid [4-acetyloxy-5-(5-ethyl-2-oxazolyl)-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(5-ethyl-1,3-oxazol-2-yl)oxolan-3-yl] 2-(6-chloropurin-9-yl)acetate Traditional Name: 2-(6-chloropurin-9-yl)acetic acid [4-acetoxy-5-(5-ethyloxazol-2-yl)tetrahydrofuran-3-yl] ester Formula: C18H18ClN5O6 MolecularWeight: 435.81842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(O1)C2C(C(CO2)OC(=O)CN3C=NC4=C3N=CN=C4Cl)OC(=O)C

Isomeric SMILES

CCC1=CN=C(O1)C2C(C(CO2)OC(=O)CN3C=NC4=C3N=CN=C4Cl)OC(=O)C

InChI

InChI=1S/C18H18ClN5O6/c1-3-10-4-20-18(29-10)15-14(28-9(2)25)11(6-27-15)30-12(26)5-24-8-23-13-16(19)21-7-22-17(13)24/h4,7-8,11,14-15H,3,5-6H2,1-2H3