4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methoxy-3-sulfamoyl-phenyl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methoxy-3-sulfamoyl-phenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methoxy-3-sulfamoyl-phenyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-methoxy-3-sulfamoyl-phenyl)butyramide Formula: C18H22N6O6S MolecularWeight: 450.46888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N

InChI

InChI=1S/C18H22N6O6S/c1-22-16-15(17(26)23(2)18(22)27)24(10-20-16)8-4-5-14(25)21-11-6-7-12(30-3)13(9-11)31(19,28)29/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,25)(H2,19,28,29)