5-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine

Systemtic Name: 5-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine Openeye Name: 5-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine CAS Name: 5-[[3-(trifluoromethyl)phenyl]thio]quinazoline-2,4-diamine IUPAC Name: 5-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine Traditional Name: [2-amino-5-[[3-(trifluoromethyl)phenyl]thio]quinazolin-4-yl]amine Formula: C15H11F3N4S MolecularWeight: 336.33485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N)C(F)(F)F

InChI

InChI=1S/C15H11F3N4S/c16-15(17,18)8-3-1-4-9(7-8)23-11-6-2-5-10-12(11)13(19)22-14(20)21-10/h1-7H,(H4,19,20,21,22)