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

Systemtic Name: 3-[2-(2-chlorophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 3-[2-(2-chlorophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 3-[2-(2-chlorophenyl)ethyl]-8-[(2,5-dimethoxyphenyl)thio]-6-purinamine IUPAC Name: 3-[2-(2-chlorophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [3-[2-(2-chlorophenyl)ethyl]-8-[(2,5-dimethoxyphenyl)thio]purin-6-yl]amine Formula: C21H20ClN5O2S MolecularWeight: 441.9338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CCC4=CC=CC=C4Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C21H20ClN5O2S/c1-28-14-7-8-16(29-2)17(11-14)30-21-25-18-19(23)24-12-27(20(18)26-21)10-9-13-5-3-4-6-15(13)22/h3-8,11-12H,9-10,23H2,1-2H3