3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(2-pyridylsulfamoyl)phenyl]propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]propionamide Formula: C18H19N7O3S2 MolecularWeight: 445.51856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H19N7O3S2/c19-14-11-15(20)24-18(23-14)29-10-8-17(26)22-12-4-6-13(7-5-12)30(27,28)25-16-3-1-2-9-21-16/h1-7,9,11H,8,10H2,(H,21,25)(H,22,26)(H4,19,20,23,24)