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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-pyrrolidino-xanthine Formula: C18H19ClFN5O2 MolecularWeight: 391.827163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H19ClFN5O2/c1-22-15-14(16(26)23(2)18(22)27)25(17(21-15)24-8-3-4-9-24)10-11-12(19)6-5-7-13(11)20/h5-7H,3-4,8-10H2,1-2H3