[5-(6-benzamidopurin-9-yl)-2-(2-ethanoylsulfanylethyl)oxolan-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-2-(2-ethanoylsulfanylethyl)oxolan-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-(2-acetylsulfanylethyl)-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[2-(acetylthio)ethyl]-5-(6-benzamido-9-purinyl)-3-oxolanyl]methyl ester IUPAC Name: [2-(2-acetylsulfanylethyl)-5-(6-benzamidopurin-9-yl)oxolan-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[2-(acetylthio)ethyl]-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl]methyl ester Formula: C26H31N5O5S MolecularWeight: 525.61984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(CC(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)SCCC1C(CC(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC(=O)C(C)(C)C

InChI

InChI=1S/C26H31N5O5S/c1-16(32)37-11-10-19-18(13-35-25(34)26(2,3)4)12-20(36-19)31-15-29-21-22(27-14-28-23(21)31)30-24(33)17-8-6-5-7-9-17/h5-9,14-15,18-20H,10-13H2,1-4H3,(H,27,28,30,33)