2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(ethanoylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(ethanoylsulfamoyl)phenyl]butanamide Openeye Name: N-[4-(acetylsulfamoyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-butanamide CAS Name: N-[4-(acetylsulfamoyl)phenyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]butanamide IUPAC Name: N-[4-(acetylsulfamoyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide Traditional Name: N-[4-(acetylsulfamoyl)phenyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]butyramide Formula: C16H20N6O4S2 MolecularWeight: 424.4978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H20N6O4S2/c1-3-12(27-16-20-13(17)8-14(18)21-16)15(24)19-10-4-6-11(7-5-10)28(25,26)22-9(2)23/h4-8,12H,3H2,1-2H3,(H,19,24)(H,22,23)(H4,17,18,20,21)