2,4-bis[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]pteridin-7-amine

Systemtic Name: 2,4-bis[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]pteridin-7-amine Openeye Name: 2,4-bis[(3-chloro-2-fluoro-phenyl)methylsulfanyl]pteridin-7-amine CAS Name: 2,4-bis[(3-chloro-2-fluorophenyl)methylthio]-7-pteridinamine IUPAC Name: 2,4-bis[(3-chloro-2-fluorophenyl)methylsulfanyl]pteridin-7-amine Traditional Name: [2,4-bis[(3-chloro-2-fluoro-benzyl)thio]pteridin-7-yl]amine Formula: C20H13Cl2F2N5S2 MolecularWeight: 496.383526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CSC2=NC(=NC3=NC(=CN=C32)N)SCC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CSC2=NC(=NC3=NC(=CN=C32)N)SCC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C20H13Cl2F2N5S2/c21-12-5-1-3-10(15(12)23)8-30-19-17-18(27-14(25)7-26-17)28-20(29-19)31-9-11-4-2-6-13(22)16(11)24/h1-7H,8-9H2,(H2,25,27,28,29)