dodecyl 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: dodecyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: dodecyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid dodecyl ester IUPAC Name: dodecyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid lauryl ester Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C22H36N4O2S/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/h17-18H,2-16H2,1H3,(H,23,24,25,26)