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

Systemtic Name: [4-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-(methylsulfanylmethyl)oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-(methylsulfanylmethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-(2-amino-6-chloro-9-purinyl)-2-[(methylthio)methyl]-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-(methylsulfanylmethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-[(methylthio)methyl]tetrahydrofuran-3-yl] ester Formula: C15H18ClN5O5S MolecularWeight: 415.85192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)N)CSC

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)N)CSC

InChI

InChI=1S/C15H18ClN5O5S/c1-6(22)24-10-8(4-27-3)26-14(11(10)25-7(2)23)21-5-18-9-12(16)19-15(17)20-13(9)21/h5,8,10-11,14H,4H2,1-3H3,(H2,17,19,20)