8-oxidanylidene-9-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 8-oxidanylidene-9-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 8-oxo-9-(2-thienyl)-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 8-oxo-9-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 8-oxo-9-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(2-thienyl)-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C17H10F3N5O2S MolecularWeight: 405.35381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N

InChI

InChI=1S/C17H10F3N5O2S/c18-17(19,20)9-4-1-3-8(7-9)14-22-11(13(21)26)12-15(24-14)25(16(27)23-12)10-5-2-6-28-10/h1-7H,(H2,21,26)(H,23,27)