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

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(3-methoxyphenyl)ethyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(3-methoxyphenyl)ethyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-3-[2-(3-methoxyphenyl)ethyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(3-methoxyphenyl)ethyl]purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-3-[2-(3-methoxyphenyl)ethyl]purin-6-yl]amine Formula: C22H23N5O3S MolecularWeight: 437.51472

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=C4)OC)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CCC4=CC(=CC=C4)OC)N

InChI

InChI=1S/C22H23N5O3S/c1-28-15-6-4-5-14(11-15)9-10-27-13-24-20(23)19-21(27)26-22(25-19)31-18-12-16(29-2)7-8-17(18)30-3/h4-8,11-13H,9-10,23H2,1-3H3