2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl-(4-methylphenyl)sulfonyl-amino]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl-(4-methylphenyl)sulfonyl-amino]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methyl-(p-tolylsulfonyl)amino]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methyl-(4-methylphenyl)sulfonylamino]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methyl-(4-methylphenyl)sulfonylamino]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methyl-tosyl-amino]ethyl ester Formula: C20H26N6O5S MolecularWeight: 462.52264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C(C)(C)C)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C(C)(C)C)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C20H26N6O5S/c1-13-5-7-14(8-6-13)32(29,30)26(9-10-31-18(28)20(2,3)4)12-25-11-22-15-16(25)23-19(21)24-17(15)27/h5-8,11H,9-10,12H2,1-4H3,(H3,21,23,24,27)