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

Systemtic Name: dodecyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: dodecyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid dodecyl ester IUPAC Name: dodecyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid lauryl ester Formula: C22H38N4O2S MolecularWeight: 422.62772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N4O2S/c1-2-3-4-5-6-7-8-9-10-12-15-28-19(27)14-11-13-16-29-22-20-21(24-17-23-20)25-18-26-22/h17-18,21-22H,2-16H2,1H3,(H,25,26)