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

Systemtic Name: 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: 2-[[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[1-(2-chlorobenzyl)-2,6-diketo-3,7-dimethyl-purin-8-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C22H19ClFN5O3S MolecularWeight: 487.934363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H19ClFN5O3S/c1-27-18-19(26-21(27)33-12-17(30)25-16-10-6-5-9-15(16)24)28(2)22(32)29(20(18)31)11-13-7-3-4-8-14(13)23/h3-10H,11-12H2,1-2H3,(H,25,30)