8-[2,4-bis(fluoranyl)phenyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-[2,4-bis(fluoranyl)phenyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(2,4-difluorophenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(2,4-difluorophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(2,4-difluorophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(2,4-difluorophenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C17H18F2N4O3 MolecularWeight: 364.346626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=C(C=C3)F)F)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=C(C=C3)F)F)CCOC

InChI

InChI=1S/C17H18F2N4O3/c1-3-6-23-15-13(16(24)21-17(23)25)22(7-8-26-2)14(20-15)11-5-4-10(18)9-12(11)19/h4-5,9H,3,6-8H2,1-2H3,(H,21,24,25)