7-prop-2-enyl-1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione

Systemtic Name: 7-prop-2-enyl-1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 7-allyl-1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 7-prop-2-enyl-1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 7-prop-2-enyl-1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 7-allyl-1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]xanthine Formula: C21H23F3N4O2 MolecularWeight: 420.42813

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)CC=C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)CC=C

InChI

InChI=1S/C21H23F3N4O2/c1-4-11-26-16-18(27(12-5-2)20(30)28(13-6-3)19(16)29)25-17(26)14-7-9-15(10-8-14)21(22,23)24/h4,7-10H,1,5-6,11-13H2,2-3H3