2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide Formula: C14H10ClF3N6OS MolecularWeight: 402.78201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)Cl

InChI

InChI=1S/C14H10ClF3N6OS/c15-7-2-1-6(14(16,17)18)3-8(7)22-9(25)4-26-13-23-10-11(19)20-5-21-12(10)24-13/h1-3,5H,4H2,(H,22,25)(H3,19,20,21,23,24)