2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C13H11FN6O2S MolecularWeight: 334.328843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)F

InChI

InChI=1S/C13H11FN6O2S/c14-6-1-3-7(4-2-6)16-8(21)5-23-13-17-9-10(19-13)18-12(15)20-11(9)22/h1-4H,5H2,(H,16,21)(H4,15,17,18,19,20,22)