2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-sulfamoylphenyl)acetamide Formula: C12H13N5O4S2 MolecularWeight: 355.39272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H13N5O4S2/c13-9-5-10(18)17-12(16-9)22-6-11(19)15-7-2-1-3-8(4-7)23(14,20)21/h1-5H,6H2,(H,15,19)(H2,14,20,21)(H3,13,16,17,18)