diethyl 2-[5-(5H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate

Systemtic Name: diethyl 2-[5-(5H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate Openeye Name: diethyl 2-[5-(5H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate CAS Name: 2-[[1-oxo-5-(5H-purin-6-ylthio)pentyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-(5H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate Traditional Name: 2-[5-(5H-purin-6-ylthio)pentanoylamino]glutaric acid diethyl ester Formula: C19H27N5O5S MolecularWeight: 437.51318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)CCCCSC1=NC=NC2=NC=NC21

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)CCCCSC1=NC=NC2=NC=NC21

InChI

InChI=1S/C19H27N5O5S/c1-3-28-15(26)9-8-13(19(27)29-4-2)24-14(25)7-5-6-10-30-18-16-17(21-11-20-16)22-12-23-18/h11-13,16H,3-10H2,1-2H3,(H,24,25)