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

Systemtic Name: 2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenyl-acetamide Formula: C22H20FN5O3S MolecularWeight: 453.489303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-8-10-15(23)11-9-14)21(25-19)32-13-17(29)24-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,29)