2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H21N5O7S/c1-24-18-17(19(27)25(2)21(24)29)26(13-22-18)8-10-33-20(28)14-5-3-7-16(11-14)34(30,31)23-12-15-6-4-9-32-15/h3-7,9,11,13,23H,8,10,12H2,1-2H3