2-[[(2S,3S,4R,5R)-3,4-diacetyloxy-5-purin-9-yl-oxolan-2-yl]methylsulfanyl]ethyl ethanoate

Systemtic Name: 2-[[(2S,3S,4R,5R)-3,4-diacetyloxy-5-purin-9-yl-oxolan-2-yl]methylsulfanyl]ethyl ethanoate Openeye Name: 2-[[(2S,3S,4R,5R)-3,4-diacetoxy-5-purin-9-yl-tetrahydrofuran-2-yl]methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[[(2S,3S,4R,5R)-3,4-diacetyloxy-5-(9-purinyl)-2-oxolanyl]methylthio]ethyl ester IUPAC Name: 2-[[(2S,3S,4R,5R)-3,4-diacetyloxy-5-purin-9-yloxolan-2-yl]methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[(2S,3S,4R,5R)-3,4-diacetoxy-5-purin-9-yl-tetrahydrofuran-2-yl]methylthio]ethyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC1C(C(C(O1)N2C=NC3=CN=CN=C32)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=CN=CN=C32)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H22N4O7S/c1-10(23)26-4-5-30-7-14-15(27-11(2)24)16(28-12(3)25)18(29-14)22-9-21-13-6-19-8-20-17(13)22/h6,8-9,14-16,18H,4-5,7H2,1-3H3/t14-,15-,16-,18-/m1/s1