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

Systemtic Name: octyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: octyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid octyl ester IUPAC Name: octyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid octyl ester Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CCCCCCCCOC(=O)CCCCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C18H30N4O2S/c1-2-3-4-5-6-8-11-24-15(23)10-7-9-12-25-18-16-17(20-13-19-16)21-14-22-18/h13-14,17-18H,2-12H2,1H3,(H,21,22)