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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,7-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3,7-dimethyl-8-(2-pyridylmethylamino)purine-2,6-dione CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,7-dimethyl-8-(2-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,7-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3,7-dimethyl-8-(2-pyridylmethylamino)xanthine Formula: C20H18ClFN6O2 MolecularWeight: 428.847323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CC=N3)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CC=N3)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

InChI

InChI=1S/C20H18ClFN6O2/c1-26-16-17(25-19(26)24-10-12-6-3-4-9-23-12)27(2)20(30)28(18(16)29)11-13-14(21)7-5-8-15(13)22/h3-9H,10-11H2,1-2H3,(H,24,25)