7-[2-(4-fluorophenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[2-(4-fluorophenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-(4-fluorophenyl)ethyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-(4-fluorophenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-(4-fluorophenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-(4-fluorophenyl)ethyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H13FN4O2S MolecularWeight: 320.342023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C14H13FN4O2S/c1-18-11-10(12(20)17-13(18)21)19(14(22)16-11)7-6-8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H,16,22)(H,17,20,21)