[4-acetyloxy-2-(hydroxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-2-(hydroxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-2-(hydroxymethyl)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-2-(hydroxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-2-(hydroxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-2-methylol-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] ester Formula: C14H16N4O6S MolecularWeight: 368.36504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)CO

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)CO

InChI

InChI=1S/C14H16N4O6S/c1-6(20)22-10-8(3-19)24-14(11(10)23-7(2)21)18-5-17-9-12(18)15-4-16-13(9)25/h4-5,8,10-11,14,19H,3H2,1-2H3,(H,15,16,25)