7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-1,3-dimethyl-8-(2-pyridylmethylthio)xanthine Formula: C20H18FN5O2S MolecularWeight: 411.452623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C20H18FN5O2S/c1-24-17-16(18(27)25(2)20(24)28)26(11-13-7-3-4-9-15(13)21)19(23-17)29-12-14-8-5-6-10-22-14/h3-10H,11-12H2,1-2H3