ethyl 2,2-dimethyl-6-[4-[5-(7H-purin-6-ylsulfanyl)pentoxy]phenoxy]hexanoate

Systemtic Name: ethyl 2,2-dimethyl-6-[4-[5-(7H-purin-6-ylsulfanyl)pentoxy]phenoxy]hexanoate Openeye Name: ethyl 2,2-dimethyl-6-[4-[5-(7H-purin-6-ylsulfanyl)pentoxy]phenoxy]hexanoate CAS Name: 2,2-dimethyl-6-[4-[5-(7H-purin-6-ylthio)pentoxy]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-6-[4-[5-(7H-purin-6-ylsulfanyl)pentoxy]phenoxy]hexanoate Traditional Name: 2,2-dimethyl-6-[4-[5-(7H-purin-6-ylthio)pentoxy]phenoxy]hexanoic acid ethyl ester Formula: C26H36N4O4S MolecularWeight: 500.65344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C26H36N4O4S/c1-4-32-25(31)26(2,3)14-6-8-16-34-21-12-10-20(11-13-21)33-15-7-5-9-17-35-24-22-23(28-18-27-22)29-19-30-24/h10-13,18-19H,4-9,14-17H2,1-3H3,(H,27,28,29,30)