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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

InChI

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