[(2S,3S,4R,5R)-4-acetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(ethylsulfanylmethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4R,5R)-4-acetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(ethylsulfanylmethyl)oxolan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,5R)-4-acetoxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(ethylsulfanylmethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[(ethylthio)methyl]-3-oxolanyl] ester IUPAC Name: [(2S,3S,4R,5R)-4-acetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(ethylsulfanylmethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,5R)-4-acetoxy-5-(2-amino-6-keto-3H-purin-9-yl)-2-[(ethylthio)methyl]tetrahydrofuran-3-yl] ester Formula: C16H21N5O6S MolecularWeight: 411.43284

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H21N5O6S/c1-4-28-5-9-11(25-7(2)22)12(26-8(3)23)15(27-9)21-6-18-10-13(21)19-16(17)20-14(10)24/h6,9,11-12,15H,4-5H2,1-3H3,(H3,17,19,20,24)/t9-,11-,12-,15-/m1/s1