8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(2,4,6-trimethylphenyl)ethyl]purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(2,4,6-trimethylphenyl)ethyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(2,4,6-trimethylphenyl)ethyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-3-[2-(2,4,6-trimethylphenyl)ethyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(2,4,6-trimethylphenyl)ethyl]purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-3-(2-mesitylethyl)purin-6-yl]amine Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=CC(=C4)OC)OC)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=CC(=C4)OC)OC)N)C

InChI

InChI=1S/C24H27N5O2S/c1-14-10-15(2)18(16(3)11-14)8-9-29-13-26-22(25)21-23(29)28-24(27-21)32-20-12-17(30-4)6-7-19(20)31-5/h6-7,10-13H,8-9,25H2,1-5H3