2-azanyl-8-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C13H10FN5O2S MolecularWeight: 319.314203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)F

InChI

InChI=1S/C13H10FN5O2S/c14-7-3-1-6(2-4-7)8(20)5-22-13-16-9-10(18-13)17-12(15)19-11(9)21/h1-4H,5H2,(H4,15,16,17,18,19,21)