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

Systemtic Name: 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-cyclohexyl-acetamide Formula: C22H26ClN5O3S MolecularWeight: 475.99154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN5O3S/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/h8-11,16H,3-7,12-13H2,1-2H3,(H,24,29)