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

Systemtic Name: [4-acetyloxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] ester Formula: C26H25N4O9PS MolecularWeight: 600.536861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)COP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)COP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H25N4O9PS/c1-16(31)35-22-20(13-34-40(33,38-18-9-5-3-6-10-18)39-19-11-7-4-8-12-19)37-26(23(22)36-17(2)32)30-15-29-21-24(30)27-14-28-25(21)41/h3-12,14-15,20,22-23,26H,13H2,1-2H3,(H,27,28,41)