2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[(1-ethyl-3,7-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(1-ethyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C17H18FN5O3S MolecularWeight: 391.419923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3=CC=C(C=C3)F)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3=CC=C(C=C3)F)N(C1=O)C

InChI

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