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

Systemtic Name: 2-diethylaminoethyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: 2-diethylaminoethyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid 2-diethylaminoethyl ester Formula: C16H27N5O2S MolecularWeight: 353.48288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CCCCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CCN(CC)CCOC(=O)CCCCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C16H27N5O2S/c1-3-21(4-2)8-9-23-13(22)7-5-6-10-24-16-14-15(18-11-17-14)19-12-20-16/h11-12,15-16H,3-10H2,1-2H3,(H,19,20)