2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(4-methyl-3-sulfamoyl-phenyl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(4-methyl-3-sulfamoyl-phenyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(4-methyl-3-sulfamoyl-phenyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(4-methyl-3-sulfamoyl-phenyl)acetamide Formula: C16H17BrN6O5S MolecularWeight: 485.31238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)S(=O)(=O)N

InChI

InChI=1S/C16H17BrN6O5S/c1-8-4-5-9(6-10(8)29(18,27)28)19-11(24)7-23-13-12(20-15(23)17)14(25)22(3)16(26)21(13)2/h4-6H,7H2,1-3H3,(H,19,24)(H2,18,27,28)