6-[2-(4-propan-2-yloxyphenoxy)ethylsulfanyl]-7H-purine

Systemtic Name: 6-[2-(4-propan-2-yloxyphenoxy)ethylsulfanyl]-7H-purine Openeye Name: 6-[2-(4-isopropoxyphenoxy)ethylsulfanyl]-7H-purine CAS Name: 6-[2-(4-propan-2-yloxyphenoxy)ethylthio]-7H-purine IUPAC Name: 6-[2-(4-propan-2-yloxyphenoxy)ethylsulfanyl]-7H-purine Traditional Name: 6-[2-(4-isopropoxyphenoxy)ethylthio]-7H-purine Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OCCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OCCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H18N4O2S/c1-11(2)22-13-5-3-12(4-6-13)21-7-8-23-16-14-15(18-9-17-14)19-10-20-16/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19,20)