2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-sulfamoylphenyl)acetamide Formula: C12H14N6O3S2 MolecularWeight: 354.40796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O3S2/c13-9-5-10(14)18-12(17-9)22-6-11(19)16-7-2-1-3-8(4-7)23(15,20)21/h1-5H,6H2,(H,16,19)(H2,15,20,21)(H4,13,14,17,18)