7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-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=CN=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CN=CC=C3)CC4=CC=C(C=C4)F

InChI

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