8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-thioxo-7H-purin-2-one CAS Name: 8-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-1,3-dimethyl-6-thioxo-7H-purin-2-one Formula: C17H17FN4O2S2 MolecularWeight: 392.470883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4O2S2/c1-21-14-13(15(25)22(2)17(21)24)19-16(20-14)26-9-3-4-12(23)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,19,20)