2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-methylbut-3-yn-2-yl)ethanamide

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-methylbut-3-yn-2-yl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(1,1-dimethylprop-2-ynyl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(2-methylbut-3-yn-2-yl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2-methylbut-3-yn-2-yl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(1,1-dimethylprop-2-ynyl)acetamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC(C)(C)C#C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC(C)(C)C#C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H25N5O3S/c1-7-9-10-23-13-14(21(5)17(26)22(6)15(13)25)19-16(23)27-11-12(24)20-18(3,4)8-2/h2H,7,9-11H2,1,3-6H3,(H,20,24)