7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-(tetrahydrofuran-2-ylmethylamino)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-oxolanylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-(tetrahydrofurfurylamino)xanthine Formula: C19H21ClFN5O3 MolecularWeight: 421.853143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H21ClFN5O3/c1-24-16-15(17(27)25(2)19(24)28)26(10-12-13(20)6-3-7-14(12)21)18(23-16)22-9-11-5-4-8-29-11/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,22,23)