9-[2-(4-chlorophenyl)ethyl]-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[2-(4-chlorophenyl)ethyl]-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(4-chlorophenyl)ethyl]-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(4-chlorophenyl)ethyl]-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(4-chlorophenyl)ethyl]-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-[2-(4-chlorophenyl)ethyl]-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C22H22ClN5O3S MolecularWeight: 471.95978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCC4=CC=C(C=C4)Cl)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCC4=CC=C(C=C4)Cl)N=CN=C3N

InChI

InChI=1S/C22H22ClN5O3S/c1-29-16-10-15(11-17(30-2)19(16)31-3)32-22-27-18-20(24)25-12-26-21(18)28(22)9-8-13-4-6-14(23)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H2,24,25,26)