2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(2-fluorophenyl)acetamide Formula: C17H18FN5O3S MolecularWeight: 391.419923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H18FN5O3S/c1-4-23-13-14(21(2)17(26)22(3)15(13)25)20-16(23)27-9-12(24)19-11-8-6-5-7-10(11)18/h5-8H,4,9H2,1-3H3,(H,19,24)