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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide Formula: C24H24FN5O3S MolecularWeight: 481.542463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C24H24FN5O3S/c1-14-6-5-7-18(15(14)2)26-19(31)13-34-23-27-21-20(22(32)29(4)24(33)28(21)3)30(23)12-16-8-10-17(25)11-9-16/h5-11H,12-13H2,1-4H3,(H,26,31)