5-(7H-purin-6-ylsulfanyl)pentanoyl 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: 5-(7H-purin-6-ylsulfanyl)pentanoyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: 5-(7H-purin-6-ylsulfanyl)pentanoyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid [1-oxo-5-(7H-purin-6-ylthio)pentyl] ester IUPAC Name: 5-(7H-purin-6-ylsulfanyl)pentanoyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid 5-(7H-purin-6-ylthio)pentanoyl ester Formula: C20H22N8O3S2 MolecularWeight: 486.57048

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCCCC(=O)OC(=O)CCCCSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCCCC(=O)OC(=O)CCCCSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H22N8O3S2/c29-13(5-1-3-7-32-19-15-17(23-9-21-15)25-11-27-19)31-14(30)6-2-4-8-33-20-16-18(24-10-22-16)26-12-28-20/h9-12H,1-8H2,(H,21,23,25,27)(H,22,24,26,28)