2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C14H11F3N6OS MolecularWeight: 368.33695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C(F)(F)F

InChI

InChI=1S/C14H11F3N6OS/c15-14(16,17)7-2-1-3-8(4-7)21-9(24)5-25-13-22-10-11(18)19-6-20-12(10)23-13/h1-4,6H,5H2,(H,21,24)(H3,18,19,20,22,23)