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

Systemtic Name: [4-acetyloxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] ester Formula: C28H29N4O9PS MolecularWeight: 628.590021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C)OC(=O)C)OC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C)OC(=O)C)OC5=CC=CC=C5C

InChI

InChI=1S/C28H29N4O9PS/c1-16-9-5-7-11-20(16)40-42(35,41-21-12-8-6-10-17(21)2)36-13-22-24(37-18(3)33)25(38-19(4)34)28(39-22)32-15-31-23-26(32)29-14-30-27(23)43/h5-12,14-15,22,24-25,28H,13H2,1-4H3,(H,29,30,43)