1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Formula: C13H13ClFN5S MolecularWeight: 325.792223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=S)NC2=CC(=C(C=C2)F)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=S)NC2=CC(=C(C=C2)F)Cl)C

InChI

InChI=1S/C13H13ClFN5S/c1-7-5-8(2)17-12(16-7)19-20-13(21)18-9-3-4-11(15)10(14)6-9/h3-6H,1-2H3,(H,16,17,19)(H2,18,20,21)