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

Systemtic Name: N-(2,6-diethylphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide Formula: C26H28FN5O3S MolecularWeight: 509.595623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C26H28FN5O3S/c1-5-17-8-7-9-18(6-2)21(17)28-20(33)15-36-25-29-23-22(24(34)31(4)26(35)30(23)3)32(25)14-16-10-12-19(27)13-11-16/h7-13H,5-6,14-15H2,1-4H3,(H,28,33)