propan-2-yl 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: propan-2-yl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: isopropyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid isopropyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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