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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-methoxy-3-sulfamoyl-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methoxy-3-sulfamoyl-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-methoxy-3-sulfamoylphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methoxy-3-sulfamoylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-methoxy-3-sulfamoyl-phenyl)acetamide Formula: C13H16N6O4S2 MolecularWeight: 384.43394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N

InChI

InChI=1S/C13H16N6O4S2/c1-23-8-3-2-7(4-9(8)25(16,21)22)17-12(20)6-24-13-18-10(14)5-11(15)19-13/h2-5H,6H2,1H3,(H,17,20)(H2,16,21,22)(H4,14,15,18,19)