2,6-bis[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]pyrimidine-4,5-diamine

Systemtic Name: 2,6-bis[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]pyrimidine-4,5-diamine Openeye Name: 2,6-bis[(3-chloro-2-fluoro-phenyl)methylsulfanyl]pyrimidine-4,5-diamine CAS Name: 2,6-bis[(3-chloro-2-fluorophenyl)methylthio]pyrimidine-4,5-diamine IUPAC Name: 2,6-bis[(3-chloro-2-fluorophenyl)methylsulfanyl]pyrimidine-4,5-diamine Traditional Name: [4-amino-2,6-bis[(3-chloro-2-fluoro-benzyl)thio]pyrimidin-5-yl]amine Formula: C18H14Cl2F2N4S2 MolecularWeight: 459.363366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CSC2=NC(=NC(=C2N)N)SCC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CSC2=NC(=NC(=C2N)N)SCC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C18H14Cl2F2N4S2/c19-11-5-1-3-9(13(11)21)7-27-17-15(23)16(24)25-18(26-17)28-8-10-4-2-6-12(20)14(10)22/h1-6H,7-8,23H2,(H2,24,25,26)