propan-2-yl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: propan-2-yl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: isopropyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid isopropyl ester Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CC(C)OC(=O)CCCCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C13H20N4O2S/c1-9(2)19-10(18)5-3-4-6-20-13-11-12(15-7-14-11)16-8-17-13/h7-9,12-13H,3-6H2,1-2H3,(H,16,17)