tert-butyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: tert-butyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: tert-butyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid tert-butyl ester Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2S/c1-14(2,3)20-10(19)6-4-5-7-21-13-11-12(16-8-15-11)17-9-18-13/h8-9,12-13H,4-7H2,1-3H3,(H,17,18)