9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-methylsulfonyl-purine-2,6-dione

Systemtic Name: 9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-methylsulfonyl-purine-2,6-dione Openeye Name: 9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-methylsulfonyl-purine-2,6-dione CAS Name: 9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-methylsulfonylpurine-2,6-dione IUPAC Name: 9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-methylsulfonylpurine-2,6-dione Traditional Name: 9-(2-fluorobenzyl)-8-mesyl-1,3-dimethyl-xanthine Formula: C15H15FN4O4S MolecularWeight: 366.367403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C15H15FN4O4S/c1-18-12-11(13(21)19(2)15(18)22)17-14(25(3,23)24)20(12)8-9-6-4-5-7-10(9)16/h4-7H,8H2,1-3H3