3,7-dimethyl-1-[3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[2-oxo-3-(trifluoromethyl)-1-pyridyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propyl]purine-2,6-dione Traditional Name: 1-[3-[2-keto-3-(trifluoromethyl)-1-pyridyl]propyl]-3,7-dimethyl-xanthine Formula: C16H16F3N5O3 MolecularWeight: 383.32515

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C=CC=C(C3=O)C(F)(F)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C=CC=C(C3=O)C(F)(F)F

InChI

InChI=1S/C16H16F3N5O3/c1-21-9-20-12-11(21)14(26)24(15(27)22(12)2)8-4-7-23-6-3-5-10(13(23)25)16(17,18)19/h3,5-6,9H,4,7-8H2,1-2H3