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diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate

diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate

Systemtic Name:diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate
Openeye Name:diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate
CAS Name:2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]pentanedioic acid diethyl ester
IUPAC Name:diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate
Traditional Name:2-[5-(7H-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=C1NC=N2


Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)CCCCSC1=NC=NC2=C1NC=N2


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/h11-13H,3-10H2,1-2H3,(H,24,25)(H,20,21,22,23)


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