7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-morpholino-xanthine Formula: C18H19ClFN5O3 MolecularWeight: 407.826563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H19ClFN5O3/c1-22-15-14(16(26)23(2)18(22)27)25(10-11-12(19)4-3-5-13(11)20)17(21-15)24-6-8-28-9-7-24/h3-5H,6-10H2,1-2H3