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

Systemtic Name: 8-[4-[bis(fluoranyl)methoxy]phenyl]-7-(2-morpholin-4-ylethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-[4-(difluoromethoxy)phenyl]-7-(2-morpholinoethyl)-3-propyl-purine-2,6-dione CAS Name: 8-[4-(difluoromethoxy)phenyl]-7-[2-(4-morpholinyl)ethyl]-3-propylpurine-2,6-dione IUPAC Name: 8-[4-(difluoromethoxy)phenyl]-7-(2-morpholin-4-ylethyl)-3-propylpurine-2,6-dione Traditional Name: 8-[4-(difluoromethoxy)phenyl]-7-(2-morpholinoethyl)-3-propyl-xanthine Formula: C21H25F2N5O4 MolecularWeight: 449.451106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OC(F)F)CCN4CCOCC4

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OC(F)F)CCN4CCOCC4

InChI

InChI=1S/C21H25F2N5O4/c1-2-7-28-18-16(19(29)25-21(28)30)27(9-8-26-10-12-31-13-11-26)17(24-18)14-3-5-15(6-4-14)32-20(22)23/h3-6,20H,2,7-13H2,1H3,(H,25,29,30)