3-[2,4-bis(fluoranyl)phenyl]-1-(oxolan-2-ylmethyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-(oxolan-2-ylmethyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-(2,4-difluorophenyl)-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(2,4-difluorophenyl)-1-(2-oxolanylmethyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(2,4-difluorophenyl)-1-(oxolan-2-ylmethyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-(2,4-difluorophenyl)-1-(tetrahydrofurfuryl)xanthine Formula: C19H18F2N4O3 MolecularWeight: 388.368026

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)F)F)CC4CCCO4

Isomeric SMILES

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)F)F)CC4CCCO4

InChI

InChI=1S/C19H18F2N4O3/c1-2-7-23-11-22-17-16(23)18(26)24(10-13-4-3-8-28-13)19(27)25(17)15-6-5-12(20)9-14(15)21/h2,5-6,9,11,13H,1,3-4,7-8,10H2