5-[6-azanyl-8-[3-(trifluoromethyl)phenyl]purin-9-yl]-1,1-dimethyl-pyridin-1-ium-2-one

Systemtic Name: 5-[6-azanyl-8-[3-(trifluoromethyl)phenyl]purin-9-yl]-1,1-dimethyl-pyridin-1-ium-2-one Openeye Name: 5-[6-amino-8-[3-(trifluoromethyl)phenyl]purin-9-yl]-1,1-dimethyl-pyridin-1-ium-2-one CAS Name: 5-[6-amino-8-[3-(trifluoromethyl)phenyl]-9-purinyl]-1,1-dimethyl-2-pyridin-1-iumone IUPAC Name: 5-[6-amino-8-[3-(trifluoromethyl)phenyl]purin-9-yl]-1,1-dimethylpyridin-1-ium-2-one Traditional Name: 5-[6-amino-8-[3-(trifluoromethyl)phenyl]purin-9-yl]-1,1-dimethyl-pyridin-1-ium-2-one Formula: C19H16F3N6O+ MolecularWeight: 401.36515

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)C(F)(F)F)C

Isomeric SMILES

C[N+]1(C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C19H16F3N6O/c1-28(2)9-13(6-7-14(28)29)27-17(26-15-16(23)24-10-25-18(15)27)11-4-3-5-12(8-11)19(20,21)22/h3-10H,1-2H3,(H2,23,24,25)/q+1