ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-[(4-sulfamoylphenyl)methyl]purin-8-yl]sulfanylbutanoate

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-[(4-sulfamoylphenyl)methyl]purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-[3-methyl-2,6-dioxo-7-[(4-sulfamoylphenyl)methyl]purin-8-yl]sulfanylbutanoate CAS Name: 2-[[3-methyl-2,6-dioxo-7-[(4-sulfamoylphenyl)methyl]-8-purinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-2,6-dioxo-7-[(4-sulfamoylphenyl)methyl]purin-8-yl]sulfanylbutanoate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(4-sulfamoylbenzyl)purin-8-yl]thio]butyric acid ethyl ester Formula: C19H23N5O6S2 MolecularWeight: 481.54582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H23N5O6S2/c1-4-13(17(26)30-5-2)31-19-21-15-14(16(25)22-18(27)23(15)3)24(19)10-11-6-8-12(9-7-11)32(20,28)29/h6-9,13H,4-5,10H2,1-3H3,(H2,20,28,29)(H,22,25,27)