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

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(4-methylphenyl)ethyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(p-tolyl)ethyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-3-[2-(4-methylphenyl)ethyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(4-methylphenyl)ethyl]purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-3-[2-(p-tolyl)ethyl]purin-6-yl]amine Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-14-4-6-15(7-5-14)10-11-27-13-24-20(23)19-21(27)26-22(25-19)30-18-12-16(28-2)8-9-17(18)29-3/h4-9,12-13H,10-11,23H2,1-3H3