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

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzoxazol-2-ylthio)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzoxazol-2-ylthio)-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C21H16FN5O3S MolecularWeight: 437.446843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4O3)CC5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4O3)CC5=CC=C(C=C5)F

InChI

InChI=1S/C21H16FN5O3S/c1-25-17-16(18(28)26(2)21(25)29)27(11-12-7-9-13(22)10-8-12)19(24-17)31-20-23-14-5-3-4-6-15(14)30-20/h3-10H,11H2,1-2H3