7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylthio]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[(4-fluorobenzyl)thio]-3-methyl-xanthine Formula: C17H19FN4O3S MolecularWeight: 378.421163

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19FN4O3S/c1-3-25-9-8-22-13-14(21(2)16(24)20-15(13)23)19-17(22)26-10-11-4-6-12(18)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,20,23,24)