[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate CAS Name: 3-(cyclopropylsulfamoyl)-2-thiophenecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Traditional Name: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H25N5O6S2 MolecularWeight: 495.5724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4)CC

InChI

InChI=1S/C20H25N5O6S2/c1-3-5-9-25-17-15(18(26)22-20(25)28)24(4-2)14(21-17)11-31-19(27)16-13(8-10-32-16)33(29,30)23-12-6-7-12/h8,10,12,23H,3-7,9,11H2,1-2H3,(H,22,26,28)