2-methylpropyl 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: 2-methylpropyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: isobutyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid isobutyl ester Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-10(2)7-20-11(19)5-3-4-6-21-14-12-13(16-8-15-12)17-9-18-14/h8-10H,3-7H2,1-2H3,(H,15,16,17,18)