[5-(6-formamidopurin-9-yl)-4-methanoyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxolan-3-yl] methanoate

Systemtic Name: [5-(6-formamidopurin-9-yl)-4-methanoyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxolan-3-yl] methanoate Openeye Name: [5-(6-formamidopurin-9-yl)-4-formyloxy-2-(p-tolylsulfonyloxymethyl)tetrahydrofuran-3-yl] formate CAS Name: formic acid [5-(6-formamido-9-purinyl)-4-formyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxolanyl] ester IUPAC Name: [5-(6-formamidopurin-9-yl)-4-formyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxolan-3-yl] formate Traditional Name: formic acid [5-(6-formamidopurin-9-yl)-4-formyloxy-2-(tosyloxymethyl)tetrahydrofuran-3-yl] ester Formula: C20H19N5O9S MolecularWeight: 505.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC=O)OC=O)OC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC=O)OC=O)OC=O

InChI

InChI=1S/C20H19N5O9S/c1-12-2-4-13(5-3-12)35(29,30)33-6-14-16(31-10-27)17(32-11-28)20(34-14)25-8-23-15-18(24-9-26)21-7-22-19(15)25/h2-5,7-11,14,16-17,20H,6H2,1H3,(H,21,22,24,26)