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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H25N5O4S/c1-5-6-10-26-17-18(24(3)21(30)25(4)19(17)29)23-20(26)31-12-16(28)22-15-9-7-8-14(11-15)13(2)27/h7-9,11H,5-6,10,12H2,1-4H3,(H,22,28)