2-[2-(4-fluoranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-[2-(4-fluoranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-(4-fluoro-3-methyl-phenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[[2-(4-fluoro-3-methyl-phenyl)-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C14H11FN4O2S MolecularWeight: 318.326143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)F

InChI

InChI=1S/C14H11FN4O2S/c1-7-4-8(2-3-9(7)15)10(20)5-22-14-18-12-11(13(21)19-14)16-6-17-12/h2-4,6H,5H2,1H3,(H2,16,17,18,19,21)