1-(pyridin-2-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(pyridin-2-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-pyridylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2-pyridinylmethyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(pyridin-2-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-pyridylmethyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H16N6O2S2 MolecularWeight: 400.47794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H16N6O2S2/c24-27(25,23-16-19-10-3-11-20-16)15-7-5-13(6-8-15)22-17(26)21-12-14-4-1-2-9-18-14/h1-11H,12H2,(H,19,20,23)(H2,21,22,26)