[1-[6-(dimethylamino)purin-9-yl]-3-(4-methylphenyl)sulfonyloxy-propan-2-yl] benzoate

Systemtic Name: [1-[6-(dimethylamino)purin-9-yl]-3-(4-methylphenyl)sulfonyloxy-propan-2-yl] benzoate Openeye Name: [1-[[6-(dimethylamino)purin-9-yl]methyl]-2-(p-tolylsulfonyloxy)ethyl] benzoate CAS Name: benzoic acid [1-[6-(dimethylamino)-9-purinyl]-3-(4-methylphenyl)sulfonyloxypropan-2-yl] ester IUPAC Name: [1-[6-(dimethylamino)purin-9-yl]-3-(4-methylphenyl)sulfonyloxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[6-(dimethylamino)purin-9-yl]methyl]-2-tosyloxy-ethyl] ester Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN2C=NC3=C2N=CN=C3N(C)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN2C=NC3=C2N=CN=C3N(C)C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O5S/c1-17-9-11-20(12-10-17)35(31,32)33-14-19(34-24(30)18-7-5-4-6-8-18)13-29-16-27-21-22(28(2)3)25-15-26-23(21)29/h4-12,15-16,19H,13-14H2,1-3H3