[(3R,4S,5R)-4-acetyloxy-5-[(6-benzamidopurin-9-yl)-ethylsulfanyl-methyl]oxolan-3-yl] ethanoate

Systemtic Name: [(3R,4S,5R)-4-acetyloxy-5-[(6-benzamidopurin-9-yl)-ethylsulfanyl-methyl]oxolan-3-yl] ethanoate Openeye Name: [(3R,4S,5R)-4-acetoxy-5-[(6-benzamidopurin-9-yl)-ethylsulfanyl-methyl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(3R,4S,5R)-4-acetyloxy-5-[(6-benzamido-9-purinyl)-(ethylthio)methyl]-3-oxolanyl] ester IUPAC Name: [(3R,4S,5R)-4-acetyloxy-5-[(6-benzamidopurin-9-yl)-ethylsulfanylmethyl]oxolan-3-yl] acetate Traditional Name: acetic acid [(3R,4S,5R)-4-acetoxy-5-[(6-benzamidopurin-9-yl)-(ethylthio)methyl]tetrahydrofuran-3-yl] ester Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1C(C(CO1)OC(=O)C)OC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCSC([C@H]1[C@H]([C@@H](CO1)OC(=O)C)OC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O6S/c1-4-35-23(19-18(34-14(3)30)16(10-32-19)33-13(2)29)28-12-26-17-20(24-11-25-21(17)28)27-22(31)15-8-6-5-7-9-15/h5-9,11-12,16,18-19,23H,4,10H2,1-3H3,(H,24,25,27,31)/t16-,18+,19-,23?/m1/s1