6-[3-(trifluoromethyl)phenyl]sulfanylpteridine-2,4-diamine

Systemtic Name: 6-[3-(trifluoromethyl)phenyl]sulfanylpteridine-2,4-diamine Openeye Name: 6-[3-(trifluoromethyl)phenyl]sulfanylpteridine-2,4-diamine CAS Name: 6-[[3-(trifluoromethyl)phenyl]thio]pteridine-2,4-diamine IUPAC Name: 6-[3-(trifluoromethyl)phenyl]sulfanylpteridine-2,4-diamine Traditional Name: [2-amino-6-[[3-(trifluoromethyl)phenyl]thio]pteridin-4-yl]amine Formula: C13H9F3N6S MolecularWeight: 338.31097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(F)(F)F

InChI

InChI=1S/C13H9F3N6S/c14-13(15,16)6-2-1-3-7(4-6)23-8-5-19-11-9(20-8)10(17)21-12(18)22-11/h1-5H,(H4,17,18,19,21,22)