2,2,2-tris(fluoranyl)-N-[8-oxidanylidene-9-(phenylmethyl)-7H-purin-6-yl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[8-oxidanylidene-9-(phenylmethyl)-7H-purin-6-yl]ethanamide Openeye Name: N-(9-benzyl-8-oxo-7H-purin-6-yl)-2,2,2-trifluoro-acetamide CAS Name: 2,2,2-trifluoro-N-[8-oxo-9-(phenylmethyl)-7H-purin-6-yl]acetamide IUPAC Name: N-(9-benzyl-8-oxo-7H-purin-6-yl)-2,2,2-trifluoroacetamide Traditional Name: N-(9-benzyl-8-keto-7H-purin-6-yl)-2,2,2-trifluoro-acetamide Formula: C14H10F3N5O2 MolecularWeight: 337.25671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC(=O)C(F)(F)F)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC(=O)C(F)(F)F)NC2=O

InChI

InChI=1S/C14H10F3N5O2/c15-14(16,17)12(23)21-10-9-11(19-7-18-10)22(13(24)20-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,20,24)(H,18,19,21,23)