1-ethyl-3-prop-2-enyl-8-(trifluoromethyl)-7H-purine-2,6-dione

Systemtic Name: 1-ethyl-3-prop-2-enyl-8-(trifluoromethyl)-7H-purine-2,6-dione Openeye Name: 3-allyl-1-ethyl-8-(trifluoromethyl)-7H-purine-2,6-dione CAS Name: 1-ethyl-3-prop-2-enyl-8-(trifluoromethyl)-7H-purine-2,6-dione IUPAC Name: 1-ethyl-3-prop-2-enyl-8-(trifluoromethyl)-7H-purine-2,6-dione Traditional Name: 3-allyl-1-ethyl-8-(trifluoromethyl)-7H-purine-2,6-quinone Formula: C11H11F3N4O2 MolecularWeight: 288.22585

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C(F)(F)F)N(C1=O)CC=C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C(F)(F)F)N(C1=O)CC=C

InChI

InChI=1S/C11H11F3N4O2/c1-3-5-18-7-6(8(19)17(4-2)10(18)20)15-9(16-7)11(12,13)14/h3H,1,4-5H2,2H3,(H,15,16)