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

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(3-fluorophenyl)ethyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(3-fluorophenyl)ethyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-3-[2-(3-fluorophenyl)ethyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(3-fluorophenyl)ethyl]purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-3-[2-(3-fluorophenyl)ethyl]purin-6-yl]amine Formula: C21H20FN5O2S MolecularWeight: 425.479203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O2S/c1-28-15-6-7-16(29-2)17(11-15)30-21-25-18-19(23)24-12-27(20(18)26-21)9-8-13-4-3-5-14(22)10-13/h3-7,10-12H,8-9,23H2,1-2H3