9-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-8-[(2,5-dimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-9-homoveratryl-purin-6-yl]amine Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-29-15-6-8-17(31-3)19(12-15)33-23-27-20-21(24)25-13-26-22(20)28(23)10-9-14-5-7-16(30-2)18(11-14)32-4/h5-8,11-13H,9-10H2,1-4H3,(H2,24,25,26)