N'-[9-[(Z)-1-(dimethylamino)-3,3,3-tris(fluoranyl)prop-1-en-2-yl]purin-6-yl]-N,N-dimethyl-methanimidamide

Systemtic Name: N'-[9-[(Z)-1-(dimethylamino)-3,3,3-tris(fluoranyl)prop-1-en-2-yl]purin-6-yl]-N,N-dimethyl-methanimidamide Openeye Name: N'-[9-[(Z)-2-(dimethylamino)-1-(trifluoromethyl)vinyl]purin-6-yl]-N,N-dimethyl-formamidine CAS Name: N'-[9-[(Z)-1-(dimethylamino)-3,3,3-trifluoroprop-1-en-2-yl]-6-purinyl]-N,N-dimethylmethanimidamide IUPAC Name: N'-[9-[(Z)-1-(dimethylamino)-3,3,3-trifluoroprop-1-en-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide Traditional Name: N'-[9-[(Z)-2-(dimethylamino)-1-(trifluoromethyl)vinyl]purin-6-yl]-N,N-dimethyl-formamidine Formula: C13H16F3N7 MolecularWeight: 327.30825

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C(F)(F)F)N1C=NC2=C(N=CN=C21)N=CN(C)C

Isomeric SMILES

CN(C)/C=C(/C(F)(F)F)\N1C=NC2=C(N=CN=C21)/N=C/N(C)C

InChI

InChI=1S/C13H16F3N7/c1-21(2)5-9(13(14,15)16)23-8-19-10-11(20-7-22(3)4)17-6-18-12(10)23/h5-8H,1-4H3/b9-5-,20-7+