2-[(2,9-dimethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[(2,9-dimethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[(2,9-dimethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[(2,9-dimethyl-6-oxo-3H-purin-8-yl)thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[(2,9-dimethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: N-(3-fluorophenyl)-2-[(6-keto-2,9-dimethyl-3H-purin-8-yl)thio]acetamide Formula: C15H14FN5O2S MolecularWeight: 347.367363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C15H14FN5O2S/c1-8-17-13-12(14(23)18-8)20-15(21(13)2)24-7-11(22)19-10-5-3-4-9(16)6-10/h3-6H,7H2,1-2H3,(H,19,22)(H,17,18,23)