[4-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-(ethylsulfanylmethyl)oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-(ethylsulfanylmethyl)oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-(ethylsulfanylmethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-(2-amino-6-chloro-9-purinyl)-2-[(ethylthio)methyl]-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-(ethylsulfanylmethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-[(ethylthio)methyl]tetrahydrofuran-3-yl] ester Formula: C16H20ClN5O5S MolecularWeight: 429.8785

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H20ClN5O5S/c1-4-28-5-9-11(25-7(2)23)12(26-8(3)24)15(27-9)22-6-19-10-13(17)20-16(18)21-14(10)22/h6,9,11-12,15H,4-5H2,1-3H3,(H2,18,20,21)