ethyl 5-[[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-7H-purin-6-yl]sulfanyl]pentanoate

Systemtic Name: ethyl 5-[[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-7H-purin-6-yl]sulfanyl]pentanoate Openeye Name: ethyl 5-[[2-(5-ethoxy-5-oxo-pentyl)sulfanyl-7H-purin-6-yl]sulfanyl]pentanoate CAS Name: 5-[[2-[(5-ethoxy-5-oxopentyl)thio]-7H-purin-6-yl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(5-ethoxy-5-oxopentyl)sulfanyl-7H-purin-6-yl]sulfanyl]pentanoate Traditional Name: 5-[[2-[(5-ethoxy-5-keto-pentyl)thio]-7H-purin-6-yl]thio]valeric acid ethyl ester Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC(=NC2=C1NC=N2)SCCCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCCSC1=NC(=NC2=C1NC=N2)SCCCCC(=O)OCC

InChI

InChI=1S/C19H28N4O4S2/c1-3-26-14(24)9-5-7-11-28-18-16-17(21-13-20-16)22-19(23-18)29-12-8-6-10-15(25)27-4-2/h13H,3-12H2,1-2H3,(H,20,21,22,23)