[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C24H27N5O6S MolecularWeight: 513.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC

InChI

InChI=1S/C24H27N5O6S/c1-3-5-12-29-22-21(23(31)27-24(29)32)28(4-2)19(26-22)15-35-20(30)14-25-36(33,34)18-11-10-16-8-6-7-9-17(16)13-18/h6-11,13,25H,3-5,12,14-15H2,1-2H3,(H,27,31,32)