2-methylpropyl 4-(7H-purin-6-ylsulfanyl)butanoate

Systemtic Name: 2-methylpropyl 4-(7H-purin-6-ylsulfanyl)butanoate Openeye Name: isobutyl 4-(7H-purin-6-ylsulfanyl)butanoate CAS Name: 4-(7H-purin-6-ylthio)butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(7H-purin-6-ylsulfanyl)butanoate Traditional Name: 4-(7H-purin-6-ylthio)butyric acid isobutyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C)COC(=O)CCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C13H18N4O2S/c1-9(2)6-19-10(18)4-3-5-20-13-11-12(15-7-14-11)16-8-17-13/h7-9H,3-6H2,1-2H3,(H,14,15,16,17)