[2-(acetyloxymethyl)-4-[2-azanyl-6-[(4-methylphenyl)methylsulfanyl]purin-9-yl]butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[2-azanyl-6-[(4-methylphenyl)methylsulfanyl]purin-9-yl]butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-[2-amino-6-(p-tolylmethylsulfanyl)purin-9-yl]butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-[2-amino-6-[(4-methylphenyl)methylthio]-9-purinyl]butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-[2-amino-6-[(4-methylphenyl)methylsulfanyl]purin-9-yl]butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-[2-amino-6-[(4-methylbenzyl)thio]purin-9-yl]butyl] ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3CCC(COC(=O)C)COC(=O)C)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3CCC(COC(=O)C)COC(=O)C)N

InChI

InChI=1S/C22H27N5O4S/c1-14-4-6-17(7-5-14)12-32-21-19-20(25-22(23)26-21)27(13-24-19)9-8-18(10-30-15(2)28)11-31-16(3)29/h4-7,13,18H,8-12H2,1-3H3,(H2,23,25,26)