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

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

Systemtic Name:diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanedioate
Openeye Name:diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanedioate
CAS Name:2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]butanedioic acid diethyl ester
IUPAC Name:diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanedioate
Traditional Name:2-[5-(7H-purin-6-ylthio)pentanoylamino]succinic acid diethyl ester
Formula: C18H25N5O5S
MolecularWeight: 423.4866
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H25N5O5S/c1-3-27-14(25)9-12(18(26)28-4-2)23-13(24)7-5-6-8-29-17-15-16(20-10-19-15)21-11-22-17/h10-12H,3-9H2,1-2H3,(H,23,24)(H,19,20,21,22)


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