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

Systemtic Name: heptyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: heptyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid heptyl ester IUPAC Name: heptyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid heptyl ester Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2S/c1-2-3-4-5-7-10-23-14(22)9-6-8-11-24-17-15-16(19-12-18-15)20-13-21-17/h12-13,16-17H,2-11H2,1H3,(H,20,21)