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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-3-methyl-xanthine Formula: C13H10ClFN4O2 MolecularWeight: 308.695503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C13H10ClFN4O2/c1-18-11-10(12(20)17-13(18)21)19(6-16-11)5-7-8(14)3-2-4-9(7)15/h2-4,6H,5H2,1H3,(H,17,20,21)