3-methylbutyl 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: 3-methylbutyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: isopentyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid isoamyl ester Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S/c1-11(2)6-7-21-12(20)5-3-4-8-22-15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,16,17,18,19)