1-(4-methylpyrimidin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4-methylpyrimidin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-methylpyrimidin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-methyl-2-pyrimidinyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-methylpyrimidin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-methylpyrimidin-2-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C16H15N7O2S2 MolecularWeight: 401.466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C16H15N7O2S2/c1-11-7-10-19-15(20-11)22-16(26)21-12-3-5-13(6-4-12)27(24,25)23-14-17-8-2-9-18-14/h2-10H,1H3,(H,17,18,23)(H2,19,20,21,22,26)