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

Systemtic Name: 2-methylpropyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: isobutyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid isobutyl ester Formula: C14H22N4O2S MolecularWeight: 310.41508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCCCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CC(C)COC(=O)CCCCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C14H22N4O2S/c1-10(2)7-20-11(19)5-3-4-6-21-14-12-13(16-8-15-12)17-9-18-14/h8-10,13-14H,3-7H2,1-2H3,(H,17,18)