9-[2-(4-bromophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[2-(4-bromophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(4-bromophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(4-bromophenyl)ethyl]-8-[(2,5-dimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(4-bromophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-[2-(4-bromophenyl)ethyl]-8-[(2,5-dimethoxyphenyl)thio]purin-6-yl]amine Formula: C21H20BrN5O2S MolecularWeight: 486.3848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCC4=CC=C(C=C4)Br)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCC4=CC=C(C=C4)Br)N=CN=C3N

InChI

InChI=1S/C21H20BrN5O2S/c1-28-15-7-8-16(29-2)17(11-15)30-21-26-18-19(23)24-12-25-20(18)27(21)10-9-13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H2,23,24,25)