8-(phenylmethylsulfanyl)-9-[2-(4-propan-2-yloxyphenoxy)ethyl]purin-6-amine

Systemtic Name: 8-(phenylmethylsulfanyl)-9-[2-(4-propan-2-yloxyphenoxy)ethyl]purin-6-amine Openeye Name: 8-benzylsulfanyl-9-[2-(4-isopropoxyphenoxy)ethyl]purin-6-amine CAS Name: 8-(phenylmethylthio)-9-[2-(4-propan-2-yloxyphenoxy)ethyl]-6-purinamine IUPAC Name: 8-benzylsulfanyl-9-[2-(4-propan-2-yloxyphenoxy)ethyl]purin-6-amine Traditional Name: [8-(benzylthio)-9-[2-(4-isopropoxyphenoxy)ethyl]purin-6-yl]amine Formula: C23H25N5O2S MolecularWeight: 435.5419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c1-16(2)30-19-10-8-18(9-11-19)29-13-12-28-22-20(21(24)25-15-26-22)27-23(28)31-14-17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3,(H2,24,25,26)