[2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ethanoate

Systemtic Name: [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ethanoate Openeye Name: [2,3,4-triacetoxy-5-ethylsulfanyl-5-(6-thioxo-3H-purin-9-yl)pentyl] acetate CAS Name: acetic acid [2,3,4-triacetyloxy-5-(ethylthio)-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ester IUPAC Name: [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] acetate Traditional Name: acetic acid [2,3,4-triacetoxy-5-(ethylthio)-5-(6-thioxo-3H-purin-9-yl)pentyl] ester Formula: C20H26N4O8S2 MolecularWeight: 514.57244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1NC=NC2=S

Isomeric SMILES

CCSC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1NC=NC2=S

InChI

InChI=1S/C20H26N4O8S2/c1-6-34-20(24-9-23-15-18(24)21-8-22-19(15)33)17(32-13(5)28)16(31-12(4)27)14(30-11(3)26)7-29-10(2)25/h8-9,14,16-17,20H,6-7H2,1-5H3,(H,21,22,33)