ethyl 7-(4,6-dihydro-1H-purin-6-ylsulfanyl)heptanoate

Systemtic Name: ethyl 7-(4,6-dihydro-1H-purin-6-ylsulfanyl)heptanoate Openeye Name: ethyl 7-(4,6-dihydro-1H-purin-6-ylsulfanyl)heptanoate CAS Name: 7-(4,6-dihydro-1H-purin-6-ylthio)heptanoic acid ethyl ester IUPAC Name: ethyl 7-(4,6-dihydro-1H-purin-6-ylsulfanyl)heptanoate Traditional Name: 7-(4,6-dihydro-1H-purin-6-ylthio)enanthic acid ethyl ester Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CCOC(=O)CCCCCCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C14H22N4O2S/c1-2-20-11(19)7-5-3-4-6-8-21-14-12-13(16-9-15-12)17-10-18-14/h9-10,13-14H,2-8H2,1H3,(H,17,18)