1-(4,6-dimethylpyridin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4,6-dimethylpyridin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4,6-dimethyl-2-pyridyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4,6-dimethyl-2-pyridinyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4,6-dimethylpyridin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4,6-dimethyl-2-pyridyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2S2/c1-12-10-13(2)21-16(11-12)23-18(27)22-14-4-6-15(7-5-14)28(25,26)24-17-19-8-3-9-20-17/h3-11H,1-2H3,(H,19,20,24)(H2,21,22,23,27)