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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(cyclopentylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(cyclopentylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(cyclopentylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(cyclopentylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(cyclopentylamino)-1,3-dimethyl-xanthine Formula: C19H21ClFN5O2 MolecularWeight: 405.853743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H21ClFN5O2/c1-24-16-15(17(27)25(2)19(24)28)26(10-12-13(20)8-5-9-14(12)21)18(23-16)22-11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,22,23)