9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C20H12F3N5O4 MolecularWeight: 443.33559

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C20H12F3N5O4/c21-20(22,23)10-3-1-9(2-4-10)17-25-14(16(24)29)15-18(27-17)28(19(30)26-15)11-5-6-12-13(7-11)32-8-31-12/h1-7H,8H2,(H2,24,29)(H,26,30)